9-[3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propyl]-3,4-dihydro-2H-carbazol-1-one

Systemtic Name: 9-[3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propyl]-3,4-dihydro-2H-carbazol-1-one Openeye Name: 9-[3-(4-benzhydrylpiperazin-1-ium-1-yl)propyl]-3,4-dihydro-2H-carbazol-1-one CAS Name: 9-[3-[4-(diphenylmethyl)-1-piperazin-1-iumyl]propyl]-3,4-dihydro-2H-carbazol-1-one IUPAC Name: 9-[3-(4-benzhydrylpiperazin-1-ium-1-yl)propyl]-3,4-dihydro-2H-carbazol-1-one Traditional Name: 9-[3-(4-benzhydrylpiperazin-1-ium-1-yl)propyl]-3,4-dihydro-2H-carbazol-1-one Formula: C32H36N3O+ MolecularWeight: 478.64774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)N(C3=CC=CC=C23)CCC[NH+]4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C(=O)C1)N(C3=CC=CC=C23)CCC[NH+]4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H35N3O/c36-30-18-9-16-28-27-15-7-8-17-29(27)35(32(28)30)20-10-19-33-21-23-34(24-22-33)31(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,11-15,17,31H,9-10,16,18-24H2/p+1