N-(4-butylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(4-butylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(4-butylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(4-butylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4-butylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C21H26N2O/c1-2-3-6-17-9-11-20(12-10-17)22-21(24)16-23-14-13-18-7-4-5-8-19(18)15-23/h9-15H,2-8,16H2,1H3/p+1