(2R)-N-(4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propionamide Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O/c1-16(21(25)23-20-9-7-17(15-22)8-10-20)24-13-11-19(12-14-24)18-5-3-2-4-6-18/h2-11,16H,12-14H2,1H3,(H,23,25)/p+1/t16-/m1/s1