2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H30ClNO6 MolecularWeight: 475.9618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC=C(C=C3)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(CC[NH+]1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC=C(C=C3)Cl.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C21H26ClNO2.C4H4O4/c1-15(16-4-6-19(22)7-5-16)8-10-23-11-9-17-12-20(24-2)21(25-3)13-18(17)14-23;5-3(6)1-2-4(7)8/h4-7,12-13,15H,8-11,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-