N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(3-nitrobenzylidene)amino]acetamide Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C\C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O3/c26-20(22-21-14-18-7-4-8-19(13-18)25(27)28)16-24-11-9-23(10-12-24)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,22,26)/p+1/b21-14-