(3R)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(p-tolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4-methylbenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C18H20N2O/c1-13-6-8-14(9-7-13)11-20-18(21)17-10-15-4-2-3-5-16(15)12-19-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/p+1/t17-/m1/s1