2-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methoxypropylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-(3-methoxypropylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCCOC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCCOC)C

InChI

InChI=1S/C21H32N4O2S/c1-15-11-17-13-18(20(26)23-19(17)12-16(15)2)14-25(9-8-24(3)4)21(28)22-7-6-10-27-5/h11-13H,6-10,14H2,1-5H3,(H,22,28)(H,23,26)/p+1