ethyl 4-[(1-propylpiperidin-1-ium-4-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-propylpiperidin-1-ium-4-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-propylpiperidin-1-ium-4-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-propyl-4-piperidin-1-iumyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-propylpiperidin-1-ium-4-yl)carbamothioylamino]benzoate Traditional Name: 4-[(1-propylpiperidin-1-ium-4-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H27N3O2S/c1-3-11-21-12-9-16(10-13-21)20-18(24)19-15-7-5-14(6-8-15)17(22)23-4-2/h5-8,16H,3-4,9-13H2,1-2H3,(H2,19,20,24)/p+1