N-(3-nitrophenyl)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butanamide

Systemtic Name: N-(3-nitrophenyl)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butanamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(3-nitrophenyl)-4-oxo-butanamide CAS Name: N-(3-nitrophenyl)-4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butanamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(3-nitrophenyl)-4-oxobutanamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-N-(3-nitrophenyl)butyramide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c26-20(22-18-7-4-8-19(15-18)25(28)29)9-10-21(27)24-13-11-23(12-14-24)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,26)/p+1