[azaniumyl-(8-chloranyl-2-methyl-3-prop-2-enyl-quinolin-1-ium-4-yl)sulfanyl-methyl]azanium

Systemtic Name: [azaniumyl-(8-chloranyl-2-methyl-3-prop-2-enyl-quinolin-1-ium-4-yl)sulfanyl-methyl]azanium Openeye Name: [(3-allyl-8-chloro-2-methyl-quinolin-1-ium-4-yl)sulfanyl-azaniumyl-methyl]ammonium CAS Name: [ammonio-[(8-chloro-2-methyl-3-prop-2-enyl-4-quinolin-1-iumyl)thio]methyl]ammonium IUPAC Name: [azaniumyl-(8-chloro-2-methyl-3-prop-2-enylquinolin-1-ium-4-yl)sulfanylmethyl]azanium Traditional Name: [[(3-allyl-8-chloro-2-methyl-quinolin-1-ium-4-yl)thio]-ammonio-methyl]ammonium Formula: C14H19ClN3S+3 MolecularWeight: 296.83876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2Cl)C(=C1CC=C)SC([NH3+])[NH3+]

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2Cl)C(=C1CC=C)SC([NH3+])[NH3+]

InChI

InChI=1S/C14H16ClN3S/c1-3-5-9-8(2)18-12-10(6-4-7-11(12)15)13(9)19-14(16)17/h3-4,6-7,14H,1,5,16-17H2,2H3/p+3