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

Systemtic Name: (E)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C16H23N2OS+ MolecularWeight: 291.43162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H22N2OS/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/p+1/b9-6+