1-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]-4-pyridin-2-yl-piperazine hydrate hydrochloride

Systemtic Name: 1-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]-4-pyridin-2-yl-piperazine hydrate hydrochloride Openeye Name: 1-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]-4-(2-pyridyl)piperazine hydrate hydrochloride CAS Name: 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-(2-pyridinyl)piperazine hydrate hydrochloride IUPAC Name: 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine hydrate hydrochloride Traditional Name: 1-(4-methoxy-3-propargyloxy-benzyl)-4-(2-pyridyl)piperazine hydrate hydrochloride Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OCC#C.O.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OCC#C.O.Cl

InChI

InChI=1S/C20H23N3O2.ClH.H2O/c1-3-14-25-19-15-17(7-8-18(19)24-2)16-22-10-12-23(13-11-22)20-6-4-5-9-21-20;;/h1,4-9,15H,10-14,16H2,2H3;1H;1H2