3-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-[(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)amino]propylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-[(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C21H32N6S+2 MolecularWeight: 400.58398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=S)NCCC[NH+](C)C)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=S)NCCC[NH+](C)C)C#N)C

InChI

InChI=1S/C21H30N6S/c1-15-7-8-17-13-18(14-22)20(26-19(17)16(15)2)23-9-5-10-24-21(28)25-11-6-12-27(3)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,23,26)(H2,24,25,28)/p+2