[4-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)butanoyl]oxy-dicyclohexyl-azanium

Systemtic Name: [4-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)butanoyl]oxy-dicyclohexyl-azanium Openeye Name: [4-(4-chlorophenyl)-2-(4-isopropylphenoxy)butanoyl]oxy-dicyclohexyl-ammonium CAS Name: [4-(4-chlorophenyl)-1-oxo-2-(4-propan-2-ylphenoxy)butoxy]-dicyclohexylammonium IUPAC Name: [4-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)butanoyl]oxy-dicyclohexylazanium Traditional Name: [4-(4-chlorophenyl)-2-(4-isopropylphenoxy)butanoyl]oxy-dicyclohexyl-ammonium Formula: C31H43ClNO3+ MolecularWeight: 513.13102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)C(=O)O[NH+](C3CCCCC3)C4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)C(=O)O[NH+](C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C31H42ClNO3/c1-23(2)25-16-20-29(21-17-25)35-30(22-15-24-13-18-26(32)19-14-24)31(34)36-33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h13-14,16-21,23,27-28,30H,3-12,15,22H2,1-2H3/p+1