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

Systemtic Name: 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)-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride CAS Name: 2-[1-(phenylmethyl)-3-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride IUPAC Name: 2-(1-benzylpiperidin-1-ium-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride Traditional Name: 2-(1-benzylpiperidin-1-ium-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride Formula: C21H28Cl2N2 MolecularWeight: 379.36642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)[NH+]3CCC4=CC=CC=C4C3.[Cl-].[Cl-]

Isomeric SMILES

C1CC(C[NH+](C1)CC2=CC=CC=C2)[NH+]3CCC4=CC=CC=C4C3.[Cl-].[Cl-]

InChI

InChI=1S/C21H26N2.2ClH/c1-2-7-18(8-3-1)15-22-13-6-11-21(17-22)23-14-12-19-9-4-5-10-20(19)16-23;;/h1-5,7-10,21H,6,11-17H2;2*1H