4-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Formula: C23H22NO3+ MolecularWeight: 360.42568

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C(C=CC(=C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(C=CC(=C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C23H21NO3/c25-21-7-5-17(18-6-8-22-23(12-18)27-15-26-22)11-20(21)14-24-10-9-16-3-1-2-4-19(16)13-24/h1-8,11-12,25H,9-10,13-15H2/p+1