N-(3-methoxyphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate tetrahydrochloride

Systemtic Name: N-(3-methoxyphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate tetrahydrochloride Openeye Name: N-(3-methoxyphenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate tetrahydrochloride CAS Name: N-(3-methoxyphenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate tetrahydrochloride IUPAC Name: N-(3-methoxyphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate tetrahydrochloride Traditional Name: N-(3-methoxyphenyl)-3-[4-(2-pyridyl)piperazino]propionamide hydrate tetrahydrochloride Formula: C38H54Cl4N8O5 MolecularWeight: 844.69796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.COC1=CC=CC(=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl.Cl.Cl.Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.COC1=CC=CC(=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C19H24N4O2.4ClH.H2O/c2*1-25-17-6-4-5-16(15-17)21-19(24)8-10-22-11-13-23(14-12-22)18-7-2-3-9-20-18;;;;;/h2*2-7,9,15H,8,10-14H2,1H3,(H,21,24);4*1H;1H2