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

Systemtic Name: 3-[[cyclopentyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[cyclopentyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C3CCCC3

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C3CCCC3

InChI

InChI=1S/C22H32N4O2S/c1-25(2)12-6-11-23-22(29)26(18-7-4-5-8-18)15-17-13-16-9-10-19(28-3)14-20(16)24-21(17)27/h9-10,13-14,18H,4-8,11-12,15H2,1-3H3,(H,23,29)(H,24,27)/p+1