2-dimethylaminoethyl 4-hexylbenzoate hydrochloride

Systemtic Name: 2-dimethylaminoethyl 4-hexylbenzoate hydrochloride Openeye Name: 2-dimethylaminoethyl 4-hexylbenzoate hydrochloride CAS Name: 4-hexylbenzoic acid 2-dimethylaminoethyl ester hydrochloride IUPAC Name: 2-dimethylaminoethyl 4-hexylbenzoate hydrochloride Traditional Name: 4-hexylbenzoic acid 2-dimethylaminoethyl ester hydrochloride Formula: C17H28ClNO2 MolecularWeight: 313.86272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl

InChI

InChI=1S/C17H27NO2.ClH/c1-4-5-6-7-8-15-9-11-16(12-10-15)17(19)20-14-13-18(2)3;/h9-12H,4-8,13-14H2,1-3H3;1H