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

Systemtic Name: (3R)-2-(3-phenoxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-(3-phenoxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-(3-phenoxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-(3-phenoxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-(3-phenoxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CCCOC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CCCOC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H22N2O2/c20-19(22)18-13-15-7-4-5-8-16(15)14-21(18)11-6-12-23-17-9-2-1-3-10-17/h1-5,7-10,18H,6,11-14H2,(H2,20,22)/p+1/t18-/m1/s1