N-(2-chlorophenyl)-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-chlorophenyl)-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-chlorophenyl)-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-chlorophenyl)-4-(3-nitro-2-pyridin-1-iumyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-chlorophenyl)-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorophenyl)-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Formula: C17H19ClN5O3+ MolecularWeight: 376.81746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

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