3-[(1R)-2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylazanium

Systemtic Name: 3-[(1R)-2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylazanium Openeye Name: 3-[(1R)-2-(p-tolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylammonium CAS Name: 3-[(1R)-2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylammonium IUPAC Name: 3-[(1R)-2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylazanium Traditional Name: 3-[(1R)-2-(4-methylbenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylammonium Formula: C20H28N2+2 MolecularWeight: 296.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2CCC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3[C@H]2CCC[NH3+]

InChI

InChI=1S/C20H26N2/c1-16-8-10-17(11-9-16)15-22-14-12-18-5-2-3-6-19(18)20(22)7-4-13-21/h2-3,5-6,8-11,20H,4,7,12-15,21H2,1H3/p+2/t20-/m1/s1