[(2S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-2-pyrrolidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[(2-isopropylsulfonyl-3-phenethyl-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:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC3CO

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC[C@H]3CO

InChI

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