methyl 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H36N3O5S+ MolecularWeight: 442.59264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)C2CCCCCC2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)C2CCCCCC2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H35N3O5S/c1-28-14-13-24-18(16-23-11-9-17(10-12-23)20(25)29-2)15-22-21(24)30(26,27)19-7-5-3-4-6-8-19/h15,17,19H,3-14,16H2,1-2H3/p+1