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

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-2-(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)C(C)[NH+]2CCCCCC2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/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)/p+1/t16-/m0/s1