3-azanyl-1-(2-diethylaminoethyl)-2-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride

Systemtic Name: 3-azanyl-1-(2-diethylaminoethyl)-2-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Openeye Name: 3-amino-1-(2-diethylaminoethyl)-2-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride CAS Name: 3-amino-1-(2-diethylaminoethyl)-2-hexylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride IUPAC Name: 3-amino-1-(2-diethylaminoethyl)-2-hexylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Traditional Name: 3-amino-1-(2-diethylaminoethyl)-2-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Formula: C20H35ClN2O4 MolecularWeight: 402.9559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O.Cl

Isomeric SMILES

CCCCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O.Cl

InChI

InChI=1S/C20H34N2O4.ClH/c1-4-7-8-9-13-20(18(25)26)16(21)11-10-12-19(20,17(23)24)14-15-22(5-2)6-3;/h10-12H,4-9,13-15,21H2,1-3H3,(H,23,24)(H,25,26);1H