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

Systemtic Name: [3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]-phenyl-methanone Formula: C23H23N4O3+ MolecularWeight: 403.45372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3/c28-23(19-6-2-1-3-7-19)20-8-9-21(22(15-20)27(29)30)26-13-11-25(12-14-26)17-18-5-4-10-24-16-18/h1-10,15-16H,11-14,17H2/p+1