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

Systemtic Name: methyl 4-methyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-16-8-9-19(22(26)27-2)14-20(16)23-21(25)15-24-12-10-18(11-13-24)17-6-4-3-5-7-17/h3-10,14H,11-13,15H2,1-2H3,(H,23,25)/p+1