(2S)-N-(2-methylpropyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methylpropyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-isobutyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methylpropyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide IUPAC Name: (2S)-N-(2-methylpropyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-isobutyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propionamide Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)[NH+]1CCC(=CC1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)[NH+]1CCC(=CC1)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O/c1-14(2)13-19-18(21)15(3)20-11-9-17(10-12-20)16-7-5-4-6-8-16/h4-9,14-15H,10-13H2,1-3H3,(H,19,21)/p+1/t15-/m0/s1