4-methyl-6-methylsulfanyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinolin-1-ium

Systemtic Name: 4-methyl-6-methylsulfanyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-yl]-4-methyl-6-methylsulfanyl-quinolin-1-ium CAS Name: 4-methyl-6-(methylthio)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]quinolin-1-ium IUPAC Name: 4-methyl-6-methylsulfanyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinolin-1-ium Traditional Name: 2-[4-[(E)-cinnamyl]piperazino]-4-methyl-6-(methylthio)quinolin-1-ium Formula: C24H28N3S+ MolecularWeight: 390.56422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3S/c1-19-17-24(25-23-11-10-21(28-2)18-22(19)23)27-15-13-26(14-16-27)12-6-9-20-7-4-3-5-8-20/h3-11,17-18H,12-16H2,1-2H3/p+1/b9-6+