methyl 3-(1,4-diazepan-4-ium-1-ylsulfonyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-(1,4-diazepan-4-ium-1-ylsulfonyl)thiophene-2-carboxylate Openeye Name: methyl 3-(1,4-diazepan-4-ium-1-ylsulfonyl)thiophene-2-carboxylate CAS Name: 3-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,4-diazepan-4-ium-1-ylsulfonyl)thiophene-2-carboxylate Traditional Name: 3-(1,4-diazepan-4-ium-1-ylsulfonyl)thiophene-2-carboxylic acid methyl ester Formula: C11H17N2O4S2+ MolecularWeight: 305.39368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C11H16N2O4S2/c1-17-11(14)10-9(3-8-18-10)19(15,16)13-6-2-4-12-5-7-13/h3,8,12H,2,4-7H2,1H3/p+1