2-(azepan-1-ium-1-yl)-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(4-isopropylphenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-p-cumenyl-acetamide Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C17H26N2O/c1-14(2)15-7-9-16(10-8-15)18-17(20)13-19-11-5-3-4-6-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)/p+1