3-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]propylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C21H32N6OS+2 MolecularWeight: 416.58338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C21H30N6OS/c1-4-28-18-7-8-19-16(14-18)13-17(15-22)20(26-19)23-9-5-10-24-21(29)25-11-6-12-27(2)3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,26)(H2,24,25,29)/p+2