methyl 2-[2-[4-(2-chloranylethanoyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(2-chloranylethanoyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-chloro-1-oxoethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C14H19ClN3O4S+ MolecularWeight: 360.83636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCl

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCl

InChI

InChI=1S/C14H18ClN3O4S/c1-22-14(21)10-2-7-23-13(10)16-11(19)9-17-3-5-18(6-4-17)12(20)8-15/h2,7H,3-6,8-9H2,1H3,(H,16,19)/p+1