methyl 3-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[(2S)-1-oxo-2-(1-piperazin-4-iumyl)propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(SC=C1)C(=O)OC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(SC=C1)C(=O)OC)N2CC[NH2+]CC2

InChI

InChI=1S/C13H19N3O3S/c1-9(16-6-4-14-5-7-16)12(17)15-10-3-8-20-11(10)13(18)19-2/h3,8-9,14H,4-7H2,1-2H3,(H,15,17)/p+1/t9-/m0/s1