methyl (2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H36N3O4S+ MolecularWeight: 414.58254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCCC2C(=O)OC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C20H35N3O4S/c1-5-6-12-23-17(15-22-11-7-10-18(22)19(24)27-4)14-21-20(23)28(25,26)13-8-9-16(2)3/h14,16,18H,5-13,15H2,1-4H3/p+1/t18-/m0/s1