methyl 2-[[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C23H24N4O2S/c1-16-15-21(24-19-9-5-3-7-17(16)19)26-11-13-27(14-12-26)23(30)25-20-10-6-4-8-18(20)22(28)29-2/h3-10,15H,11-14H2,1-2H3,(H,25,30)/p+1