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

Systemtic Name: [3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[4-(4-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=CC=NC=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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