6,7-dimethoxy-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride

Systemtic Name: 6,7-dimethoxy-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride Openeye Name: 2-(1-benzylpiperidin-1-ium-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride CAS Name: 6,7-dimethoxy-2-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride IUPAC Name: 2-(1-benzylpiperidin-1-ium-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride Formula: C23H32Cl2N2O2 MolecularWeight: 439.41838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3CC[NH+](CC3)CC4=CC=CC=C4)OC.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)C3CC[NH+](CC3)CC4=CC=CC=C4)OC.[Cl-].[Cl-]

InChI

InChI=1S/C23H30N2O2.2ClH/c1-26-22-14-19-8-13-25(17-20(19)15-23(22)27-2)21-9-11-24(12-10-21)16-18-6-4-3-5-7-18;;/h3-7,14-15,21H,8-13,16-17H2,1-2H3;2*1H