ethyl 1-[(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H31N4O5S+ MolecularWeight: 415.52754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H30N4O5S/c1-4-27-18(23)16-5-7-20(8-6-16)13-22-15(3)17(14(2)19-22)28(24,25)21-9-11-26-12-10-21/h16H,4-13H2,1-3H3/p+1