2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Formula: C21H21ClN3O2+ MolecularWeight: 382.86334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O2/c22-16-7-5-15(6-8-16)21(27)25-11-9-24(10-12-25)14-20(26)18-13-23-19-4-2-1-3-17(18)19/h1-8,13,23H,9-12,14H2/p+1