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

Systemtic Name: [azaniumyl-(3-butyl-2-methyl-quinolin-4-yl)sulfanyl-methyl]azanium Openeye Name: [azaniumyl-[(3-butyl-2-methyl-4-quinolyl)sulfanyl]methyl]ammonium CAS Name: [ammonio-[(3-butyl-2-methyl-4-quinolinyl)thio]methyl]ammonium IUPAC Name: [azaniumyl-(3-butyl-2-methylquinolin-4-yl)sulfanylmethyl]azanium Traditional Name: [ammonio-[(3-butyl-2-methyl-4-quinolyl)thio]methyl]ammonium Formula: C15H23N3S+2 MolecularWeight: 277.42822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1C)SC([NH3+])[NH3+]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1C)SC([NH3+])[NH3+]

InChI

InChI=1S/C15H21N3S/c1-3-4-7-11-10(2)18-13-9-6-5-8-12(13)14(11)19-15(16)17/h5-6,8-9,15H,3-4,7,16-17H2,1-2H3/p+2