butanedioate; piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methanone

Systemtic Name: butanedioate; piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methanone Openeye Name: butanedioate; [5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-2-thienyl]-(1-piperidyl)methanone CAS Name: butanedioate; 1-piperidinyl-[5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-2-thiophenyl]methanone IUPAC Name: butanedioate; piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methanone Traditional Name: [5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-2-thienyl]-piperidino-methanone; succinate Formula: C28H37N3O6S-2 MolecularWeight: 543.67488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(S3)C(=O)N4CCCCC4.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(S3)C(=O)N4CCCCC4.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H33N3O2S.C4H6O4/c1-19(2)29-22-9-5-4-8-21(22)26-16-14-25(15-17-26)18-20-10-11-23(30-20)24(28)27-12-6-3-7-13-27;5-3(6)1-2-4(7)8/h4-5,8-11,19H,3,6-7,12-18H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/p-2