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

Systemtic Name: 2-[(1R)-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethylazanium Openeye Name: 2-[(1R)-2-(m-tolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethylammonium CAS Name: 2-[(1R)-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethylammonium IUPAC Name: 2-[(1R)-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethylazanium Traditional Name: 2-[(1R)-2-(3-methylbenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethylammonium Formula: C19H26N2+2 MolecularWeight: 282.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC3=CC=CC=C3C2CC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2/c1-15-5-4-6-16(13-15)14-21-12-10-17-7-2-3-8-18(17)19(21)9-11-20/h2-8,13,19H,9-12,14,20H2,1H3/p+2/t19-/m1/s1