butyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate Openeye Name: butyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate CAS Name: 4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)benzoic acid butyl ester Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C19H29N3O3S/c1-2-3-13-25-18(23)16-5-7-17(8-6-16)21-19(26)20-9-4-10-22-11-14-24-15-12-22/h5-8H,2-4,9-15H2,1H3,(H2,20,21,26)/p+1