ethyl 1-[2-[3-[azanyl(methylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[2-[3-[azanyl(methylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[2-[3-[amino(methylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[3-[[amino(methylsulfonyl)amino]-oxomethyl]-1-pyridin-1-iumyl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[amino(methylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[3-[amino(mesyl)carbamoyl]pyridin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C16H23N4O6S+ MolecularWeight: 399.44202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C(=O)C[N+]2=CC=CC(=C2)C(=O)N(N)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCCN1C(=O)C[N+]2=CC=CC(=C2)C(=O)N(N)S(=O)(=O)C

InChI

InChI=1S/C16H23N4O6S/c1-3-26-16(23)13-7-5-9-19(13)14(21)11-18-8-4-6-12(10-18)15(22)20(17)27(2,24)25/h4,6,8,10,13H,3,5,7,9,11,17H2,1-2H3/q+1