cyclohexyl(dimethyl)azanium; 2-[3-(10-methylundecoxy)propylcarbamoyl]benzoate

Systemtic Name: cyclohexyl(dimethyl)azanium; 2-[3-(10-methylundecoxy)propylcarbamoyl]benzoate Openeye Name: cyclohexyl(dimethyl)ammonium; 2-[3-(10-methylundecoxy)propylcarbamoyl]benzoate CAS Name: cyclohexyl(dimethyl)ammonium; 2-[[3-(10-methylundecoxy)propylamino]-oxomethyl]benzoate IUPAC Name: cyclohexyl(dimethyl)azanium; 2-[3-(10-methylundecoxy)propylcarbamoyl]benzoate Traditional Name: cyclohexyl(dimethyl)ammonium; 2-[3-(10-methylundecoxy)propylcarbamoyl]benzoate Formula: C31H54N2O4 MolecularWeight: 518.77146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCOCCCNC(=O)C1=CC=CC=C1C(=O)[O-].C[NH+](C)C1CCCCC1

Isomeric SMILES

CC(C)CCCCCCCCCOCCCNC(=O)C1=CC=CC=C1C(=O)[O-].C[NH+](C)C1CCCCC1

InChI

InChI=1S/C23H37NO4.C8H17N/c1-19(2)13-8-6-4-3-5-7-11-17-28-18-12-16-24-22(25)20-14-9-10-15-21(20)23(26)27;1-9(2)8-6-4-3-5-7-8/h9-10,14-15,19H,3-8,11-13,16-18H2,1-2H3,(H,24,25)(H,26,27);8H,3-7H2,1-2H3