2-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide chloride Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide chloride CAS Name: 2-(1-azepan-1-iumyl)-N-(2,4,6-trimethylphenyl)propanamide chloride IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide chloride Traditional Name: 2-(azepan-1-ium-1-yl)-N-mesityl-propionamide chloride Formula: C18H29ClN2O MolecularWeight: 324.88866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCCCCC2)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCCCCC2)C.[Cl-]

InChI

InChI=1S/C18H28N2O.ClH/c1-13-11-14(2)17(15(3)12-13)19-18(21)16(4)20-9-7-5-6-8-10-20;/h11-12,16H,5-10H2,1-4H3,(H,19,21);1H