5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-N-methyl-2-oxidanyl-benzamide hydrate hydrochloride

Systemtic Name: 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-N-methyl-2-oxidanyl-benzamide hydrate hydrochloride Openeye Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-benzamide hydrate hydrochloride CAS Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methylbenzamide hydrate hydrochloride IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methylbenzamide hydrate hydrochloride Traditional Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methoxyphenyl)piperazino]ethyl]-N-methyl-benzamide hydrate hydrochloride Formula: C21H30ClN3O5 MolecularWeight: 439.933

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C=CC(=C1)C(CN2CCN(CC2)C3=CC=C(C=C3)OC)O)O.O.Cl

Isomeric SMILES

CNC(=O)C1=C(C=CC(=C1)C(CN2CCN(CC2)C3=CC=C(C=C3)OC)O)O.O.Cl

InChI

InChI=1S/C21H27N3O4.ClH.H2O/c1-22-21(27)18-13-15(3-8-19(18)25)20(26)14-23-9-11-24(12-10-23)16-4-6-17(28-2)7-5-16;;/h3-8,13,20,25-26H,9-12,14H2,1-2H3,(H,22,27);1H;1H2