1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-yl-ethenyl]quinolin-1-ium iodide

Systemtic Name: 1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-yl-ethenyl]quinolin-1-ium iodide Openeye Name: 1-methyl-2-[(Z)-2-methylsulfanyl-2-(1-piperidyl)vinyl]quinolin-1-ium iodide CAS Name: 1-methyl-2-[(Z)-2-(methylthio)-2-(1-piperidinyl)ethenyl]quinolin-1-ium iodide IUPAC Name: 1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-ylethenyl]quinolin-1-ium iodide Traditional Name: 1-methyl-2-[(Z)-2-(methylthio)-2-piperidino-vinyl]quinolin-1-ium iodide Formula: C18H23IN2S MolecularWeight: 426.35809

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCCCC3)SC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C(/N3CCCCC3)\SC.[I-]

InChI

InChI=1S/C18H23N2S.HI/c1-19-16(11-10-15-8-4-5-9-17(15)19)14-18(21-2)20-12-6-3-7-13-20;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3;1H/q+1;/p-1