(2S)-2-(azocan-1-ium-1-yl)-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-isopropylphenyl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-o-cumenyl-propionamide Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)[NH+]2CCCCCCC2

InChI

InChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)20-19(22)16(3)21-13-9-5-4-6-10-14-21/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,20,22)/p+1/t16-/m0/s1