[azaniumyl-[3-[(Z)-3-chloranylbut-2-enyl]-2,6-dimethyl-quinolin-4-yl]sulfanyl-methyl]azanium

Systemtic Name: [azaniumyl-[3-[(Z)-3-chloranylbut-2-enyl]-2,6-dimethyl-quinolin-4-yl]sulfanyl-methyl]azanium Openeye Name: [azaniumyl-[[3-[(Z)-3-chlorobut-2-enyl]-2,6-dimethyl-4-quinolyl]sulfanyl]methyl]ammonium CAS Name: [ammonio-[[3-[(Z)-3-chlorobut-2-enyl]-2,6-dimethyl-4-quinolinyl]thio]methyl]ammonium IUPAC Name: [azaniumyl-[3-[(Z)-3-chlorobut-2-enyl]-2,6-dimethylquinolin-4-yl]sulfanylmethyl]azanium Traditional Name: [ammonio-[[3-[(Z)-3-chlorobut-2-enyl]-2,6-dimethyl-4-quinolyl]thio]methyl]ammonium Formula: C16H22ClN3S+2 MolecularWeight: 323.88398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2SC([NH3+])[NH3+])CC=C(C)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2SC([NH3+])[NH3+])C/C=C(/C)\Cl)C

InChI

InChI=1S/C16H20ClN3S/c1-9-4-7-14-13(8-9)15(21-16(18)19)12(11(3)20-14)6-5-10(2)17/h4-5,7-8,16H,6,18-19H2,1-3H3/p+2/b10-5-