N-tert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-tert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-tert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-tert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-tert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-tert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-21(2,3)22-20(24)18-10-8-16(9-11-18)14-23-13-12-17-6-4-5-7-19(17)15-23/h4-11H,12-15H2,1-3H3,(H,22,24)/p+1