[3-(3-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoyl]oxy-dicyclohexyl-azanium

Systemtic Name: [3-(3-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoyl]oxy-dicyclohexyl-azanium Openeye Name: [3-(3-chlorophenyl)-2-(4-isopropylphenoxy)propanoyl]oxy-dicyclohexyl-ammonium CAS Name: [3-(3-chlorophenyl)-1-oxo-2-(4-propan-2-ylphenoxy)propoxy]-dicyclohexylammonium IUPAC Name: [3-(3-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoyl]oxy-dicyclohexylazanium Traditional Name: [3-(3-chlorophenyl)-2-(4-isopropylphenoxy)propanoyl]oxy-dicyclohexyl-ammonium Formula: C30H41ClNO3+ MolecularWeight: 499.10444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC(CC2=CC(=CC=C2)Cl)C(=O)O[NH+](C3CCCCC3)C4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC(CC2=CC(=CC=C2)Cl)C(=O)O[NH+](C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C30H40ClNO3/c1-22(2)24-16-18-28(19-17-24)34-29(21-23-10-9-11-25(31)20-23)30(33)35-32(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h9-11,16-20,22,26-27,29H,3-8,12-15,21H2,1-2H3/p+1