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

Systemtic Name: 3-azanyl-1-(2-diethylaminoethyl)-2-propan-2-yl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Openeye Name: 3-amino-1-(2-diethylaminoethyl)-2-isopropyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride CAS Name: 3-amino-1-(2-diethylaminoethyl)-2-propan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride IUPAC Name: 3-amino-1-(2-diethylaminoethyl)-2-propan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Traditional Name: 3-amino-1-(2-diethylaminoethyl)-2-isopropyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Formula: C17H29ClN2O4 MolecularWeight: 360.87616

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C=CC=C(C1(C(C)C)C(=O)O)N)C(=O)O.Cl

Isomeric SMILES

CCN(CC)CCC1(C=CC=C(C1(C(C)C)C(=O)O)N)C(=O)O.Cl

InChI

InChI=1S/C17H28N2O4.ClH/c1-5-19(6-2)11-10-16(14(20)21)9-7-8-13(18)17(16,12(3)4)15(22)23;/h7-9,12H,5-6,10-11,18H2,1-4H3,(H,20,21)(H,22,23);1H