[azaniumyl-(6-bromanyl-3-butyl-2-methyl-quinolin-4-yl)sulfanyl-methyl]azanium

Systemtic Name: [azaniumyl-(6-bromanyl-3-butyl-2-methyl-quinolin-4-yl)sulfanyl-methyl]azanium Openeye Name: [azaniumyl-[(6-bromo-3-butyl-2-methyl-4-quinolyl)sulfanyl]methyl]ammonium CAS Name: [ammonio-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]methyl]ammonium IUPAC Name: [azaniumyl-(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanylmethyl]azanium Traditional Name: [ammonio-[(6-bromo-3-butyl-2-methyl-4-quinolyl)thio]methyl]ammonium Formula: C15H22BrN3S+2 MolecularWeight: 356.32428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SC([NH3+])[NH3+]

Isomeric SMILES

CCCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SC([NH3+])[NH3+]

InChI

InChI=1S/C15H20BrN3S/c1-3-4-5-11-9(2)19-13-7-6-10(16)8-12(13)14(11)20-15(17)18/h6-8,15H,3-5,17-18H2,1-2H3/p+2