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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC3=CC=CC=C3C2CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC3=CC=CC=C3[C@H]2CCC[NH3+]

InChI

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