3-[[cyclopentyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[cyclopentyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[cyclopentyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C22H32N4OS/c1-16-8-6-9-17-14-18(21(27)24-20(16)17)15-26(19-10-4-5-11-19)22(28)23-12-7-13-25(2)3/h6,8-9,14,19H,4-5,7,10-13,15H2,1-3H3,(H,23,28)(H,24,27)/p+1