[1-(diethylamino)-3-thiophen-2-yl-propan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride

Systemtic Name: [1-(diethylamino)-3-thiophen-2-yl-propan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride Openeye Name: [1-(diethylaminomethyl)-2-(2-thienyl)ethyl] 3,4,5-trimethoxybenzoate hydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid [1-(diethylamino)-3-thiophen-2-ylpropan-2-yl] ester hydrochloride IUPAC Name: [1-(diethylamino)-3-thiophen-2-ylpropan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid [1-(diethylaminomethyl)-2-(2-thienyl)ethyl] ester hydrochloride Formula: C21H30ClNO5S MolecularWeight: 443.9846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CC1=CC=CS1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl

Isomeric SMILES

CCN(CC)CC(CC1=CC=CS1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl

InChI

InChI=1S/C21H29NO5S.ClH/c1-6-22(7-2)14-16(13-17-9-8-10-28-17)27-21(23)15-11-18(24-3)20(26-5)19(12-15)25-4;/h8-12,16H,6-7,13-14H2,1-5H3;1H