(3S)-N-[(2R)-4-phenylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-4-phenylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-[(1R)-1-methyl-3-phenyl-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-[(2R)-4-phenylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-[(2R)-4-phenylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-[(1R)-1-methyl-3-phenyl-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C20H24N2O/c1-15(11-12-16-7-3-2-4-8-16)22-20(23)19-13-17-9-5-6-10-18(17)14-21-19/h2-10,15,19,21H,11-14H2,1H3,(H,22,23)/p+1/t15-,19+/m1/s1