3,4-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Openeye Name: 3,4-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide CAS Name: 3,4-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide IUPAC Name: 3,4-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Traditional Name: 3,4-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H26N2O/c1-16-8-9-19(14-17(16)2)21(24)22-11-5-12-23-13-10-18-6-3-4-7-20(18)15-23/h3-4,6-9,14H,5,10-13,15H2,1-2H3,(H,22,24)/p+1