2-[3-methoxypropylcarbamothioyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-methoxypropylcarbamothioyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[3-methoxypropylcarbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-methoxypropylamino)-sulfanylidenemethyl]-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-methoxypropylcarbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-(3-methoxypropylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCCCOC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCCCOC

InChI

InChI=1S/C20H30N4O2S/c1-15-6-7-18-16(12-15)13-17(19(25)22-18)14-24(10-9-23(2)3)20(27)21-8-5-11-26-4/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,21,27)(H,22,25)/p+1