2-(azepan-1-ium-1-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O3/c21-16(13-19-11-3-1-2-4-12-19)18-10-9-17-14-5-7-15(8-6-14)20(22)23/h5-8,17H,1-4,9-13H2,(H,18,21)/p+1