2-dimethylaminoethyl 4-(hexadecylamino)benzoate hydrochloride

Systemtic Name: 2-dimethylaminoethyl 4-(hexadecylamino)benzoate hydrochloride Openeye Name: 2-dimethylaminoethyl 4-(hexadecylamino)benzoate hydrochloride CAS Name: 4-(hexadecylamino)benzoic acid 2-dimethylaminoethyl ester hydrochloride IUPAC Name: 2-dimethylaminoethyl 4-(hexadecylamino)benzoate hydrochloride Traditional Name: 4-(cetylamino)benzoic acid 2-dimethylaminoethyl ester hydrochloride Formula: C27H49ClN2O2 MolecularWeight: 469.14316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl

InChI

InChI=1S/C27H48N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-26-20-18-25(19-21-26)27(30)31-24-23-29(2)3;/h18-21,28H,4-17,22-24H2,1-3H3;1H