ethyl (3S)-1-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O5S/c1-2-26-18(23)15-6-5-9-19(12-15)14-20-13-16(7-8-17(20)22)27(24,25)21-10-3-4-11-21/h7-8,13,15H,2-6,9-12,14H2,1H3/p+1/t15-/m0/s1