(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-[(2S)-2-hydroxy-2-phenylethyl]-methylammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-[(2S)-2-hydroxy-2-phenylethyl]-methylazanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC(C3=CC=CC=C3)O

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C23H29N3O3S/c1-3-30(28,29)23-24-16-21(26(23)15-14-19-10-6-4-7-11-19)17-25(2)18-22(27)20-12-8-5-9-13-20/h4-13,16,22,27H,3,14-15,17-18H2,1-2H3/p+1/t22-/m1/s1