N-(4-aminophenyl)-3-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]propanamide trihydrate tetrahydrochloride

Systemtic Name: N-(4-aminophenyl)-3-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]propanamide trihydrate tetrahydrochloride Openeye Name: N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridyl)piperazin-1-yl]propanamide trihydrate tetrahydrochloride CAS Name: N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)-1-piperazinyl]propanamide trihydrate tetrahydrochloride IUPAC Name: N-(4-aminophenyl)-3-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]propanamide trihydrate tetrahydrochloride Traditional Name: N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridyl)piperazino]propionamide trihydrate tetrahydrochloride Formula: C38H60Cl4N10O7 MolecularWeight: 910.7578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)N.COC1=CC=CC(=N1)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)N.O.O.O.Cl.Cl.Cl.Cl

Isomeric SMILES

COC1=CC=CC(=N1)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)N.COC1=CC=CC(=N1)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)N.O.O.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C19H25N5O2.4ClH.3H2O/c2*1-26-19-4-2-3-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-7-5-15(20)6-8-16;;;;;;;/h2*2-8H,9-14,20H2,1H3,(H,21,25);4*1H;3*1H2