1-(1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Formula: C20H21N4O3+ MolecularWeight: 365.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c25-20(18-13-21-19-4-2-1-3-17(18)19)14-22-9-11-23(12-10-22)15-5-7-16(8-6-15)24(26)27/h1-8,13,21H,9-12,14H2/p+1