[(2S)-2,3-bis(oxidanyl)propyl]-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium

Systemtic Name: [(2S)-2,3-bis(oxidanyl)propyl]-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: [(2S)-2,3-dihydroxypropyl]-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: [(2S)-2,3-dihydroxypropyl]-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: [(2S)-2,3-dihydroxypropyl]-methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: [(2S)-2,3-dihydroxypropyl]-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c1-15(2)27(25,26)19-20-11-17(12-21(3)13-18(24)14-23)22(19)10-9-16-7-5-4-6-8-16/h4-8,11,15,18,23-24H,9-10,12-14H2,1-3H3/p+1/t18-/m0/s1