1-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]prop-2-en-1-one hydrate hydrochloride

Systemtic Name: 1-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]prop-2-en-1-one hydrate hydrochloride Openeye Name: 1-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]prop-2-en-1-one hydrate hydrochloride CAS Name: 1-(4-methoxyphenyl)-2-[(4-methyl-1-piperazinyl)methyl]-2-propen-1-one hydrate hydrochloride IUPAC Name: 1-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]prop-2-en-1-one hydrate hydrochloride Traditional Name: 1-(4-methoxyphenyl)-2-[(4-methylpiperazino)methyl]prop-2-en-1-one hydrate hydrochloride Formula: C16H25ClN2O3 MolecularWeight: 328.8343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=C)C(=O)C2=CC=C(C=C2)OC.O.Cl

Isomeric SMILES

CN1CCN(CC1)CC(=C)C(=O)C2=CC=C(C=C2)OC.O.Cl

InChI

InChI=1S/C16H22N2O2.ClH.H2O/c1-13(12-18-10-8-17(2)9-11-18)16(19)14-4-6-15(20-3)7-5-14;;/h4-7H,1,8-12H2,2-3H3;1H;1H2