1-[4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O3/c1-17(27)19-9-10-22(23(15-19)26(28)29)25-13-11-24(12-14-25)16-20-7-4-6-18-5-2-3-8-21(18)20/h2-10,15H,11-14,16H2,1H3/p+1