1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(3-nitrophenyl)amino]ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(3-nitrophenyl)amino]ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-nitroanilino)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-(3-nitroanilino)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-nitroanilino)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-2-(3-nitroanilino)ethanone Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O3/c20-16-6-4-15(5-7-16)14-22-8-10-23(11-9-22)19(25)13-21-17-2-1-3-18(12-17)24(26)27/h1-7,12,21H,8-11,13-14H2/p+1