(2R)-1-(5-methyl-2,3-diphenyl-indol-1-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(5-methyl-2,3-diphenyl-indol-1-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-(5-methyl-2,3-diphenyl-indol-1-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-(5-methyl-2,3-diphenyl-1-indolyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-(5-methyl-2,3-diphenyl-indol-1-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C33H36N4O+2 MolecularWeight: 504.66514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC(C[NH+]5CCN(CC5)C6=CC=CC=[NH+]6)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C[C@H](C[NH+]5CCN(CC5)C6=CC=CC=[NH+]6)O

InChI

InChI=1S/C33H34N4O/c1-25-15-16-30-29(22-25)32(26-10-4-2-5-11-26)33(27-12-6-3-7-13-27)37(30)24-28(38)23-35-18-20-36(21-19-35)31-14-8-9-17-34-31/h2-17,22,28,38H,18-21,23-24H2,1H3/p+2/t28-/m0/s1