3-[2-[(3-cyano-6,7-dimethyl-quinolin-2-yl)amino]ethylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(3-cyano-6,7-dimethyl-quinolin-2-yl)amino]ethylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[2-[(3-cyano-6,7-dimethyl-2-quinolyl)amino]ethylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-[(3-cyano-6,7-dimethyl-2-quinolinyl)amino]ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[2-[(3-cyano-6,7-dimethyl-2-quinolyl)amino]ethylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H29N6S+ MolecularWeight: 385.54946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)NCCNC(=S)NCCC[NH+](C)C)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)NCCNC(=S)NCCC[NH+](C)C)C#N)C

InChI

InChI=1S/C20H28N6S/c1-14-10-16-12-17(13-21)19(25-18(16)11-15(14)2)22-7-8-24-20(27)23-6-5-9-26(3)4/h10-12H,5-9H2,1-4H3,(H,22,25)(H2,23,24,27)/p+1