methyl 2-(2-piperazin-4-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-piperazin-4-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-piperazin-4-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-piperazin-4-iumyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-piperazin-4-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(2-piperazin-4-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C12H18N3O3S+ MolecularWeight: 284.35462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CN2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CN2CC[NH2+]CC2

InChI

InChI=1S/C12H17N3O3S/c1-18-12(17)9-2-7-19-11(9)14-10(16)8-15-5-3-13-4-6-15/h2,7,13H,3-6,8H2,1H3,(H,14,16)/p+1