methyl (3R)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: methyl (3R)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-[2-keto-2-(4-phenylpiperazino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C[NH+]1CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-29-23(28)21-15-18-7-5-6-8-19(18)16-26(21)17-22(27)25-13-11-24(12-14-25)20-9-3-2-4-10-20/h2-10,21H,11-17H2,1H3/p+1/t21-/m1/s1