ethyl 4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(4-methyl-1-piperidin-1-iumyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(4-methylpiperidin-1-ium-1-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC[NH+]2CCC(CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC[NH+]2CCC(CC2)C

InChI

InChI=1S/C18H27N3O2S/c1-3-23-17(22)15-4-6-16(7-5-15)20-18(24)19-10-13-21-11-8-14(2)9-12-21/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,24)/p+1