[3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-phenyl-methanone Openeye Name: [4-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-phenylmethanone IUPAC Name: [4-(4-benzylpiperazin-4-ium-1-yl)-3-nitrophenyl]-phenylmethanone Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O3/c28-24(20-9-5-2-6-10-20)21-11-12-22(23(17-21)27(29)30)26-15-13-25(14-16-26)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2/p+1