(1S)-1-(3-ethoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1S)-1-(3-ethoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1S)-1-(3-ethoxy-4-hydroxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1S)-1-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1S)-1-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1S)-1-(3-ethoxy-4-hydroxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C17H20NO4+ MolecularWeight: 302.345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=CC(=C(C=C3CC[NH2+]2)O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C3=CC(=C(C=C3CC[NH2+]2)O)O)O

InChI

InChI=1S/C17H19NO4/c1-2-22-16-8-11(3-4-13(16)19)17-12-9-15(21)14(20)7-10(12)5-6-18-17/h3-4,7-9,17-21H,2,5-6H2,1H3/p+1/t17-/m0/s1