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

Systemtic Name: 2-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(3-methoxypropylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(3-methoxypropylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCCCOC

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCCCOC

InChI

InChI=1S/C20H30N4O3S/c1-23(2)9-10-24(20(28)21-8-5-11-26-3)14-16-12-15-6-7-17(27-4)13-18(15)22-19(16)25/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,21,28)(H,22,25)/p+1