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

Systemtic Name: methyl (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCC3C(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C21H29N3O4S/c1-3-29(26,27)21-22-15-18(16-23-13-8-12-19(23)20(25)28-2)24(21)14-7-11-17-9-5-4-6-10-17/h4-6,9-10,15,19H,3,7-8,11-14,16H2,1-2H3/p+1/t19-/m0/s1