(3S)-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (3S)-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (3S)-3-(p-tolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (3S)-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (3S)-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (3S)-3-(p-tolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3C[NH2+]2)O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC3=CC(=C(C=C3C[NH2+]2)O)O

InChI

InChI=1S/C16H17NO2/c1-10-2-4-11(5-3-10)14-6-12-7-15(18)16(19)8-13(12)9-17-14/h2-5,7-8,14,17-19H,6,9H2,1H3/p+1/t14-/m0/s1