6-[4-(1,3,2-benzodioxastibol-2-yloxy)phenyl]-5-ethyl-4a,10b-dihydrophenanthridin-5-ium-3,8-diamine

Systemtic Name: 6-[4-(1,3,2-benzodioxastibol-2-yloxy)phenyl]-5-ethyl-4a,10b-dihydrophenanthridin-5-ium-3,8-diamine Openeye Name: 6-[4-(1,3,2-benzodioxastibol-2-yloxy)phenyl]-5-ethyl-4a,10b-dihydrophenanthridin-5-ium-3,8-diamine CAS Name: 6-[4-(1,3,2-benzodioxastibol-2-yloxy)phenyl]-5-ethyl-4a,10b-dihydrophenanthridin-5-ium-3,8-diamine IUPAC Name: 6-[4-(1,3,2-benzodioxastibol-2-yloxy)phenyl]-5-ethyl-4a,10b-dihydrophenanthridin-5-ium-3,8-diamine Traditional Name: [3-amino-6-[4-(1,3,2-benzodioxantimonol-2-yloxy)phenyl]-5-ethyl-4a,10b-dihydrophenanthridin-5-ium-8-yl]amine Formula: C27H25N3O3Sb+ MolecularWeight: 561.2657

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=C(C=CC(=C2)N)C3C1C=C(C=C3)N)C4=CC=C(C=C4)O[Sb]5OC6=CC=CC=C6O5

Isomeric SMILES

CC[N+]1=C(C2=C(C=CC(=C2)N)C3C1C=C(C=C3)N)C4=CC=C(C=C4)O[Sb]5OC6=CC=CC=C6O5

InChI

InChI=1S/C21H21N3O.C6H6O2.Sb/c1-2-24-20-12-15(23)6-10-18(20)17-9-5-14(22)11-19(17)21(24)13-3-7-16(25)8-4-13;7-5-3-1-2-4-6(5)8;/h3-12,18,20H,2,22-23H2,1H3;1-4,7-8H;/q;;+3/p-2