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

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-mesityl-propionamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-14-12-15(2)18(16(3)13-14)19-17(21)8-11-20-9-6-4-5-7-10-20/h12-13H,4-11H2,1-3H3,(H,19,21)/p+1