methyl 6-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[2-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H31N4O2S+ MolecularWeight: 379.54004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H30N4O2S/c1-22-12-14-23(15-13-22)17-9-6-5-8-16(17)21-19(26)20-11-7-3-4-10-18(24)25-2/h5-6,8-9H,3-4,7,10-15H2,1-2H3,(H2,20,21,26)/p+1