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

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-mesityl-propionamide Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O/c1-14-12-15(2)18(16(3)13-14)20-19(22)17(4)21-10-8-6-5-7-9-11-21/h12-13,17H,5-11H2,1-4H3,(H,20,22)/p+1/t17-/m0/s1