1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-2-propanol IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol Formula: C27H36N3O+ MolecularWeight: 418.59424

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CC(CN2C3=C(CCCC3)C4=CC=CC=C42)O)CC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCN(CC1)CC(CN2C3=C(CCCC3)C4=CC=CC=C42)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H36N3O/c1-30(21-22-9-3-2-4-10-22)17-15-28(16-18-30)19-23(31)20-29-26-13-7-5-11-24(26)25-12-6-8-14-27(25)29/h2-5,7,9-11,13,23,31H,6,8,12,14-21H2,1H3/q+1