methyl N-[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]carbamate CAS Name: N-[(2R)-1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]carbamate Traditional Name: N-[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]carbamic acid methyl ester Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-12(15(19)17-16(20)21-2)18-10-8-14(9-11-18)13-6-4-3-5-7-13/h3-8,12H,9-11H2,1-2H3,(H,17,19,20)/p+1/t12-/m1/s1