[azaniumyl-(2-methyl-6-propoxy-3-propyl-quinolin-4-yl)sulfanyl-methyl]azanium

Systemtic Name: [azaniumyl-(2-methyl-6-propoxy-3-propyl-quinolin-4-yl)sulfanyl-methyl]azanium Openeye Name: [azaniumyl-[(2-methyl-6-propoxy-3-propyl-4-quinolyl)sulfanyl]methyl]ammonium CAS Name: [ammonio-[(2-methyl-6-propoxy-3-propyl-4-quinolinyl)thio]methyl]ammonium IUPAC Name: [azaniumyl-(2-methyl-6-propoxy-3-propylquinolin-4-yl)sulfanylmethyl]azanium Traditional Name: [ammonio-[(2-methyl-6-propoxy-3-propyl-4-quinolyl)thio]methyl]ammonium Formula: C17H27N3OS+2 MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c1-4-6-13-11(3)20-15-8-7-12(21-9-5-2)10-14(15)16(13)22-17(18)19/h7-8,10,17H,4-6,9,18-19H2,1-3H3/p+2