ethyl 1-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O5S/c1-2-26-18(23)15-7-11-19(12-8-15)14-20-13-16(5-6-17(20)22)27(24,25)21-9-3-4-10-21/h5-6,13,15H,2-4,7-12,14H2,1H3/p+1