5-ethyl-6-[9-[4-[6-(5-ethylphenanthridin-5-ium-6-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-9-yl]butyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-6-yl]phenanthridin-5-ium

Systemtic Name: 5-ethyl-6-[9-[4-[6-(5-ethylphenanthridin-5-ium-6-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-9-yl]butyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-6-yl]phenanthridin-5-ium Openeye Name: 5-ethyl-6-[9-[4-[6-(5-ethylphenanthridin-5-ium-6-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-9-yl]butyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-6-yl]phenanthridin-5-ium CAS Name: 5-ethyl-6-[9-[4-[6-(5-ethyl-6-phenanthridin-5-iumyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-9-yl]butyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-6-yl]phenanthridin-5-ium IUPAC Name: 5-ethyl-6-[9-[4-[6-(5-ethylphenanthridin-5-ium-6-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-9-yl]butyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-6-yl]phenanthridin-5-ium Traditional Name: 5-ethyl-6-[9-[4-[6-(5-ethylphenanthridin-5-ium-6-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-9-yl]butyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-6-yl]phenanthridin-5-ium Formula: C52H54N6+2 MolecularWeight: 763.02536

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC=CC=C2C3=CC=CC=C31)C4=C5C(=C(C=C4)CCCCC6=C7C(=C(C=C6)C8=[N+](C9=CC=CC=C9C1=CC=CC=C18)CC)NCCCN7)NCCCN5

Isomeric SMILES

CC[N+]1=C(C2=CC=CC=C2C3=CC=CC=C31)C4=C5C(=C(C=C4)CCCCC6=C7C(=C(C=C6)C8=[N+](C9=CC=CC=C9C1=CC=CC=C18)CC)NCCCN7)NCCCN5

InChI

InChI=1S/C52H52N6/c1-3-57-45-25-13-11-21-39(45)37-19-7-9-23-41(37)51(57)43-29-27-35(47-49(43)55-33-15-31-53-47)17-5-6-18-36-28-30-44(50-48(36)54-32-16-34-56-50)52-42-24-10-8-20-38(42)40-22-12-14-26-46(40)58(52)4-2/h7-14,19-30,53-54H,3-6,15-18,31-34H2,1-2H3/p+2