3-[[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CCCO)CC1=CC2=C(C=C(C=C2)OC)NC1=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CCCO)CC1=CC2=C(C=C(C=C2)OC)NC1=O

InChI

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