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

Systemtic Name: 3-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-[(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)amino]ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[2-[(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)amino]ethylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H30N6S+2 MolecularWeight: 386.5574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6S/c1-14-6-7-16-12-17(13-21)19(25-18(16)15(14)2)22-9-10-24-20(27)23-8-5-11-26(3)4/h6-7,12H,5,8-11H2,1-4H3,(H,22,25)(H2,23,24,27)/p+2