methyl 4,5-dimethyl-2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C16H24N2O3S/c1-10-6-5-7-18(8-10)9-13(19)17-15-14(16(20)21-4)11(2)12(3)22-15/h10H,5-9H2,1-4H3,(H,17,19)/p+1/t10-/m0/s1