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

Systemtic Name: 3-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-[(3-cyano-6-methyl-2-quinolin-1-iumyl)amino]propylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-[(3-cyano-6-methylquinolin-1-ium-2-yl)amino]propylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H30N6S+2 MolecularWeight: 386.5574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=S)NCCC[NH+](C)C

InChI

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