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

Systemtic Name: ethanedioic acid; [4-[(3-methylphenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(m-tolylmethyl)piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(3-methylbenzyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2OS.C2H2O4/c1-14-4-2-5-15(12-14)13-18-7-9-19(10-8-18)17(20)16-6-3-11-21-16;3-1(4)2(5)6/h2-6,11-12H,7-10,13H2,1H3;(H,3,4)(H,5,6)