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

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]ethanone CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]ethanone Formula: C30H31ClN3O3+ MolecularWeight: 517.03844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30ClN3O3/c1-21-26(19-29(35)33-16-14-32(15-17-33)20-22-6-4-3-5-7-22)27-18-25(37-2)12-13-28(27)34(21)30(36)23-8-10-24(31)11-9-23/h3-13,18H,14-17,19-20H2,1-2H3/p+1