N-(2-ethyl-6-methyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C26H29N2O+ MolecularWeight: 385.52126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C26H28N2O/c1-3-21-10-6-7-19(2)25(21)27-26(29)23-13-11-20(12-14-23)17-28-16-15-22-8-4-5-9-24(22)18-28/h4-14H,3,15-18H2,1-2H3,(H,27,29)/p+1