[2-methoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] N-methylcarbamate hydrate hydrochloride

Systemtic Name: [2-methoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] N-methylcarbamate hydrate hydrochloride Openeye Name: [2-methoxy-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate hydrate hydrochloride CAS Name: N-methylcarbamic acid [2-methoxy-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl] ester hydrate hydrochloride IUPAC Name: [2-methoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] N-methylcarbamate hydrate hydrochloride Traditional Name: N-methylcarbamic acid [2-methoxy-4-[[4-(2-pyridyl)piperazino]methyl]phenyl] ester hydrate hydrochloride Formula: C19H27ClN4O4 MolecularWeight: 410.89508

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OC.O.Cl

Isomeric SMILES

CNC(=O)OC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OC.O.Cl

InChI

InChI=1S/C19H24N4O3.ClH.H2O/c1-20-19(24)26-16-7-6-15(13-17(16)25-2)14-22-9-11-23(12-10-22)18-5-3-4-8-21-18;;/h3-8,13H,9-12,14H2,1-2H3,(H,20,24);1H;1H2