methyl 3-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)thiophene-2-carboxylate CAS Name: 3-[[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)thiophene-2-carboxylate Traditional Name: 3-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C14H21N3O4S/c1-20-13(18)12-11(3-10-22-12)16-14(19)15-4-2-5-17-6-8-21-9-7-17/h3,10H,2,4-9H2,1H3,(H2,15,16,19)/p+1