[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone; ethanedioic acid

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: oxalic acid; 2-thienyl-(4-veratrylpiperazino)methanone Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O3S.C2H2O4/c1-22-15-6-5-14(12-16(15)23-2)13-19-7-9-20(10-8-19)18(21)17-4-3-11-24-17;3-1(4)2(5)6/h3-6,11-12H,7-10,13H2,1-2H3;(H,3,4)(H,5,6)