[azaniumyl-(8-bromanyl-2-methyl-3-propyl-quinolin-4-yl)sulfanyl-methyl]azanium

Systemtic Name: [azaniumyl-(8-bromanyl-2-methyl-3-propyl-quinolin-4-yl)sulfanyl-methyl]azanium Openeye Name: [azaniumyl-[(8-bromo-2-methyl-3-propyl-4-quinolyl)sulfanyl]methyl]ammonium CAS Name: [ammonio-[(8-bromo-2-methyl-3-propyl-4-quinolinyl)thio]methyl]ammonium IUPAC Name: [azaniumyl-(8-bromo-2-methyl-3-propylquinolin-4-yl)sulfanylmethyl]azanium Traditional Name: [ammonio-[(8-bromo-2-methyl-3-propyl-4-quinolyl)thio]methyl]ammonium Formula: C14H20BrN3S+2 MolecularWeight: 342.2977

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C(=CC=C2)Br)N=C1C)SC([NH3+])[NH3+]

Isomeric SMILES

CCCC1=C(C2=C(C(=CC=C2)Br)N=C1C)SC([NH3+])[NH3+]

InChI

InChI=1S/C14H18BrN3S/c1-3-5-9-8(2)18-12-10(6-4-7-11(12)15)13(9)19-14(16)17/h4,6-7,14H,3,5,16-17H2,1-2H3/p+2