(2S)-2-(azocan-1-ium-1-yl)-N-(2,4-dimethylphenyl)propanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2,4-dimethylphenyl)propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2,4-dimethylphenyl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(2,4-dimethylphenyl)propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2,4-dimethylphenyl)propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2,4-dimethylphenyl)propionamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCCCCCC2)C

InChI

InChI=1S/C18H28N2O/c1-14-9-10-17(15(2)13-14)19-18(21)16(3)20-11-7-5-4-6-8-12-20/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,19,21)/p+1/t16-/m0/s1