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

Systemtic Name: 3-azanyl-2-(2-diethylaminoethyl)-1-methyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Openeye Name: 3-amino-2-(2-diethylaminoethyl)-1-methyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride CAS Name: 3-amino-2-(2-diethylaminoethyl)-1-methylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride IUPAC Name: 3-amino-2-(2-diethylaminoethyl)-1-methylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Traditional Name: 3-amino-2-(2-diethylaminoethyl)-1-methyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Formula: C15H25ClN2O4 MolecularWeight: 332.823

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C(=CC=CC1(C)C(=O)O)N)C(=O)O.Cl

Isomeric SMILES

CCN(CC)CCC1(C(=CC=CC1(C)C(=O)O)N)C(=O)O.Cl

InChI

InChI=1S/C15H24N2O4.ClH/c1-4-17(5-2)10-9-15(13(20)21)11(16)7-6-8-14(15,3)12(18)19;/h6-8H,4-5,9-10,16H2,1-3H3,(H,18,19)(H,20,21);1H