N-(2-chlorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C17H20ClN5O3+2 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN5O3/c18-13-4-1-2-5-14(13)20-16(24)12-21-8-10-22(11-9-21)17-15(23(25)26)6-3-7-19-17/h1-7H,8-12H2,(H,20,24)/p+2