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

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium Formula: C23H38N3O3S+ MolecularWeight: 436.63112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC(C2=CC=CC=C2)O

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)C[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C23H37N3O3S/c1-5-6-14-26-21(16-24-23(26)30(28,29)15-10-11-19(2)3)17-25(4)18-22(27)20-12-8-7-9-13-20/h7-9,12-13,16,19,22,27H,5-6,10-11,14-15,17-18H2,1-4H3/p+1/t22-/m0/s1