(5-ethanoyl-2-ethoxy-phenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: (5-acetyl-2-ethoxyphenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: (5-acetyl-2-ethoxy-benzyl)-[(1R)-1-(4-mesylphenyl)ethyl]ammonium Formula: C20H26NO4S+ MolecularWeight: 376.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH2+]C(C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH2+][C@H](C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H25NO4S/c1-5-25-20-11-8-17(15(3)22)12-18(20)13-21-14(2)16-6-9-19(10-7-16)26(4,23)24/h6-12,14,21H,5,13H2,1-4H3/p+1/t14-/m1/s1