methyl (2R)-4-methyl-2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]valeric acid methyl ester Formula: C20H29N2O3+ MolecularWeight: 345.45586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3/c1-15(2)13-18(20(24)25-3)21-19(23)14-22-11-9-17(10-12-22)16-7-5-4-6-8-16/h4-9,15,18H,10-14H2,1-3H3,(H,21,23)/p+1/t18-/m1/s1