(E)-1-(4-methyl-1,4-diazepan-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one hydrochloride

Systemtic Name: (E)-1-(4-methyl-1,4-diazepan-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one hydrochloride Openeye Name: (E)-1-(4-methyl-1,4-diazepan-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one hydrochloride CAS Name: (E)-1-(4-methyl-1,4-diazepan-1-yl)-3-[4-(methylthio)phenyl]-2-propen-1-one hydrochloride IUPAC Name: (E)-1-(4-methyl-1,4-diazepan-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one hydrochloride Traditional Name: (E)-1-(4-methyl-1,4-diazepan-1-yl)-3-[4-(methylthio)phenyl]prop-2-en-1-one hydrochloride Formula: C16H23ClN2OS MolecularWeight: 326.88462

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)SC.Cl

Isomeric SMILES

CN1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)SC.Cl

InChI

InChI=1S/C16H22N2OS.ClH/c1-17-10-3-11-18(13-12-17)16(19)9-6-14-4-7-15(20-2)8-5-14;/h4-9H,3,10-13H2,1-2H3;1H/b9-6+;