1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-[(3-nitrophenyl)amino]ethanone

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-[(3-nitrophenyl)amino]ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-(3-nitroanilino)ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-(3-nitroanilino)ethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-(3-nitroanilino)ethanone Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-(3-nitroanilino)ethanone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O3/c28-23(16-24-20-8-4-9-21(15-20)27(29)30)26-13-11-25(12-14-26)17-19-7-3-6-18-5-1-2-10-22(18)19/h1-10,15,24H,11-14,16-17H2/p+1