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

Systemtic Name: 1-methyl-2-[(Z)-2-methylsulfanyl-2-pyrrolidin-1-yl-ethenyl]quinolin-1-ium Openeye Name: 1-methyl-2-[(Z)-2-methylsulfanyl-2-pyrrolidin-1-yl-vinyl]quinolin-1-ium CAS Name: 1-methyl-2-[(Z)-2-(methylthio)-2-(1-pyrrolidinyl)ethenyl]quinolin-1-ium IUPAC Name: 1-methyl-2-[(Z)-2-methylsulfanyl-2-pyrrolidin-1-ylethenyl]quinolin-1-ium Traditional Name: 1-methyl-2-[(Z)-2-(methylthio)-2-pyrrolidino-vinyl]quinolin-1-ium Formula: C17H21N2S+ MolecularWeight: 285.42704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCCC3)SC

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C(/N3CCCC3)\SC

InChI

InChI=1S/C17H21N2S/c1-18-15(10-9-14-7-3-4-8-16(14)18)13-17(20-2)19-11-5-6-12-19/h3-4,7-10,13H,5-6,11-12H2,1-2H3/q+1