[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium CAS Name: [3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylammonium IUPAC Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium Traditional Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](C)CC(C3=CC=CC=C3)O

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](C)C[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C22H33N3O3S/c1-3-4-13-25-20(14-23-22(25)29(27,28)17-18-9-8-10-18)15-24(2)16-21(26)19-11-6-5-7-12-19/h5-7,11-12,14,18,21,26H,3-4,8-10,13,15-17H2,1-2H3/p+1/t21-/m0/s1