cyclopentyl-[4-ethanoyl-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-dimethyl-azanium

Systemtic Name: cyclopentyl-[4-ethanoyl-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-dimethyl-azanium Openeye Name: [4-acetyl-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium CAS Name: [4-acetyl-1-[4-(2-hydroxyethyl)phenyl]-1-cyclohexa-2,4-dienyl]sulfonyl-cyclopentyl-dimethylammonium IUPAC Name: [4-acetyl-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethylazanium Traditional Name: [4-acetyl-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium Formula: C23H32NO4S+ MolecularWeight: 418.56948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CCC(C=C1)(C2=CC=C(C=C2)CCO)S(=O)(=O)[N+](C)(C)C3CCCC3

Isomeric SMILES

CC(=O)C1=CCC(C=C1)(C2=CC=C(C=C2)CCO)S(=O)(=O)[N+](C)(C)C3CCCC3

InChI

InChI=1S/C23H32NO4S/c1-18(26)20-12-15-23(16-13-20,21-10-8-19(9-11-21)14-17-25)29(27,28)24(2,3)22-6-4-5-7-22/h8-13,15,22,25H,4-7,14,16-17H2,1-3H3/q+1