ethanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one; hydrate

Systemtic Name: ethanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one; hydrate Openeye Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one; oxalate; hydrate CAS Name: oxalate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-1H-pyrrol-2-yl]methyl]-2-piperidinone; hydrate IUPAC Name: oxalate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one; hydrate Traditional Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-1H-pyrrol-2-yl]methyl]-2-piperidone; oxalate; hydrate Formula: C26H36N4O7-2 MolecularWeight: 516.58664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3)CN4CCCCC4=O.C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3)CN4CCCCC4=O.C(=O)(C(=O)[O-])[O-].O

InChI

InChI=1S/C24H34N4O2.C2H2O4.H2O/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29;3-1(4)2(5)6;/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3;(H,3,4)(H,5,6);1H2/p-2