3-methoxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide

Systemtic Name: 3-methoxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Openeye Name: 3-methoxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide CAS Name: 3-methoxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide IUPAC Name: 3-methoxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Traditional Name: 3-methoxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC(=CC=C1)OC)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC[C@H](CNC(=O)C1=CC(=CC=C1)OC)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O2/c1-3-19(23-12-11-16-7-4-5-8-18(16)15-23)14-22-21(24)17-9-6-10-20(13-17)25-2/h4-10,13,19H,3,11-12,14-15H2,1-2H3,(H,22,24)/p+1/t19-/m1/s1