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

Systemtic Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-2-28(26,27)20-22-14-17(15-23-12-7-11-18(23)19(21)25)24(20)13-6-10-16-8-4-3-5-9-16/h3-5,8-9,14,18H,2,6-7,10-13,15H2,1H3,(H2,21,25)/p+1/t18-/m0/s1