N-[(Z)-1-(2-chlorophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(Z)-1-(2-chlorophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-2-(2-chlorophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-2-(2-chlorophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]-3-nitro-benzamide Formula: C22H25ClN5O4+ MolecularWeight: 458.918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C(=CC2=CC=CC=C2Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C/C2=CC=CC=C2Cl)/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN5O4/c23-19-7-2-1-4-16(19)15-20(22(30)25-10-13-27-11-8-24-9-12-27)26-21(29)17-5-3-6-18(14-17)28(31)32/h1-7,14-15,24H,8-13H2,(H,25,30)(H,26,29)/p+1/b20-15-