(3R)-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H25N2O+ MolecularWeight: 273.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC1CCC(CC1)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C17H24N2O/c1-12-6-8-15(9-7-12)19-17(20)16-10-13-4-2-3-5-14(13)11-18-16/h2-5,12,15-16,18H,6-11H2,1H3,(H,19,20)/p+1/t12?,15?,16-/m1/s1