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

Systemtic Name: N-naphthalen-1-yl-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(1-naphthyl)-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(1-naphthalenyl)-4-(3-nitro-2-pyridin-1-iumyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-naphthalen-1-yl-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(1-naphthyl)-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Formula: C21H22N5O3+ MolecularWeight: 392.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c27-21(23-18-9-3-7-16-6-1-2-8-17(16)18)25-13-5-12-24(14-15-25)20-19(26(28)29)10-4-11-22-20/h1-4,6-11H,5,12-15H2,(H,23,27)/p+1