methyl 3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[4-(4-morpholin-4-iumylmethyl)anilino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C18H21N3O4S/c1-24-17(22)16-15(6-11-26-16)20-18(23)19-14-4-2-13(3-5-14)12-21-7-9-25-10-8-21/h2-6,11H,7-10,12H2,1H3,(H2,19,20,23)/p+1