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

Systemtic Name: 6-methoxy-2-[1-(phenylmethyl)piperidin-1-ium-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride Openeye Name: 2-(1-benzylpiperidin-1-ium-3-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride CAS Name: 6-methoxy-2-[1-(phenylmethyl)-3-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride IUPAC Name: 2-(1-benzylpiperidin-1-ium-3-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride Traditional Name: 2-(1-benzylpiperidin-1-ium-3-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride Formula: C22H30Cl2N2O MolecularWeight: 409.3924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C[NH+](CC2)C3CCC[NH+](C3)CC4=CC=CC=C4)C=C1.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC2=C(C[NH+](CC2)C3CCC[NH+](C3)CC4=CC=CC=C4)C=C1.[Cl-].[Cl-]

InChI

InChI=1S/C22H28N2O.2ClH/c1-25-22-10-9-20-16-24(13-11-19(20)14-22)21-8-5-12-23(17-21)15-18-6-3-2-4-7-18;;/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1H3;2*1H