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

Systemtic Name: 4-(3-nitropyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-nitropyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-(3-nitro-2-pyridin-1-iumyl)-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-nitropyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-nitropyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3/c23-17(19-14-6-2-1-3-7-14)21-11-5-10-20(12-13-21)16-15(22(24)25)8-4-9-18-16/h1-4,6-9H,5,10-13H2,(H,19,23)/p+1