ethanedioic acid; [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-[4-(2-methoxyphenyl)piperazino]piperidino]-(2-thienyl)methanone; oxalic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O2S.C2H2O4/c1-26-19-6-3-2-5-18(19)23-14-12-22(13-15-23)17-8-10-24(11-9-17)21(25)20-7-4-16-27-20;3-1(4)2(5)6/h2-7,16-17H,8-15H2,1H3;(H,3,4)(H,5,6)