2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethanone Openeye Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]ethanone IUPAC Name: 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanone Formula: C29H31ClN3O2+ MolecularWeight: 489.02834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)C[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)C[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H30ClN3O2/c1-21-29(28(34)20-31-13-15-32(16-14-31)24-10-6-9-23(30)17-24)26-18-25(35-2)11-12-27(26)33(21)19-22-7-4-3-5-8-22/h3-12,17-18H,13-16,19-20H2,1-2H3/p+1