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

Systemtic Name: (2S)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-27(25,26)19-21-13-16(14-22-11-6-10-17(22)18(20)24)23(19)12-5-9-15-7-3-2-4-8-15/h2-4,7-8,13,17H,5-6,9-12,14H2,1H3,(H2,20,24)/p+1/t17-/m0/s1