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

Systemtic Name: [(2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-pyrrolidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCC3CO

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-2-27(25,26)20-21-14-19(15-22-12-7-11-18(22)16-24)23(20)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,18,24H,2,6-7,10-13,15-16H2,1H3/p+1/t18-/m0/s1