ethanedioic acid; 7-methoxy-6-methyl-1-(1-thiophen-3-ylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: ethanedioic acid; 7-methoxy-6-methyl-1-(1-thiophen-3-ylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-methoxy-6-methyl-1-[1-(3-thienyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline; oxalic acid CAS Name: 7-methoxy-6-methyl-1-[1-(3-thiophenyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline; oxalic acid IUPAC Name: 7-methoxy-6-methyl-1-(1-thiophen-3-ylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline; oxalic acid Traditional Name: 7-methoxy-6-methyl-1-[1-(3-thienyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline; oxalic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(NCCC2=C1)C3(CC3)C4=CSC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C2C(NCCC2=C1)C3(CC3)C4=CSC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NOS.C2H2O4/c1-12-9-13-3-7-19-17(15(13)10-16(12)20-2)18(5-6-18)14-4-8-21-11-14;3-1(4)2(5)6/h4,8-11,17,19H,3,5-7H2,1-2H3;(H,3,4)(H,5,6)