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

Systemtic Name: 3-[(1R)-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylazanium Openeye Name: 3-[(1R)-2-(m-tolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylammonium CAS Name: 3-[(1R)-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylammonium IUPAC Name: 3-[(1R)-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propylazanium Traditional Name: 3-[(1R)-2-(3-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=C1)C[NH+]2CCC3=CC=CC=C3C2CCC[NH3+]

Isomeric SMILES

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

InChI

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