2-methoxy-N-[2-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide

Systemtic Name: 2-methoxy-N-[2-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Openeye Name: N-(2-isobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-2-methoxy-benzamide CAS Name: 2-methoxy-N-[2-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide IUPAC Name: 2-methoxy-N-[2-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Traditional Name: N-(2-isobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-2-methoxy-benzamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)C[NH+]1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC

InChI

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