methyl 3-[(1-ethylpiperidin-1-ium-4-yl)carbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(1-ethylpiperidin-1-ium-4-yl)carbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(1-ethylpiperidin-1-ium-4-yl)carbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[(1-ethyl-4-piperidin-1-iumyl)amino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-ethylpiperidin-1-ium-4-yl)carbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[(1-ethylpiperidin-1-ium-4-yl)carbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-3-17-7-4-10(5-8-17)15-14(19)16-11-6-9-21-12(11)13(18)20-2/h6,9-10H,3-5,7-8H2,1-2H3,(H2,15,16,19)/p+1