1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7,8-diol

Systemtic Name: 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7,8-diol Openeye Name: 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7,8-diol CAS Name: 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7,8-diol IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7,8-diol Traditional Name: 1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7,8-diol Formula: C16H18NO3+ MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=C1C=CC(=C2O)O)CC3=CC=C(C=C3)O

Isomeric SMILES

C1C[NH2+]C(C2=C1C=CC(=C2O)O)CC3=CC=C(C=C3)O

InChI

InChI=1S/C16H17NO3/c18-12-4-1-10(2-5-12)9-13-15-11(7-8-17-13)3-6-14(19)16(15)20/h1-6,13,17-20H,7-9H2/p+1