2-[(4-butoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(4-butoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(4-butoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(4-butoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(4-butoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(4-butoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H30NO3+ MolecularWeight: 356.4785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H29NO3/c1-4-5-12-26-20-8-6-17(7-9-20)15-23-11-10-18-13-21(24-2)22(25-3)14-19(18)16-23/h6-9,13-14H,4-5,10-12,15-16H2,1-3H3/p+1