2-(azocan-1-ium-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCCCC2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCCCC2)C

InChI

InChI=1S/C17H25N3O3/c1-13-8-9-15(20(22)23)17(14(13)2)18-16(21)12-19-10-6-4-3-5-7-11-19/h8-9H,3-7,10-12H2,1-2H3,(H,18,21)/p+1