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

Systemtic Name: 3-azanyl-1-(2-diethylaminoethyl)-2-ethyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Openeye Name: 3-amino-1-(2-diethylaminoethyl)-2-ethyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride CAS Name: 3-amino-1-(2-diethylaminoethyl)-2-ethylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride IUPAC Name: 3-amino-1-(2-diethylaminoethyl)-2-ethylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Traditional Name: 3-amino-1-(2-diethylaminoethyl)-2-ethyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Formula: C16H27ClN2O4 MolecularWeight: 346.84958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4.ClH/c1-4-16(14(21)22)12(17)8-7-9-15(16,13(19)20)10-11-18(5-2)6-3;/h7-9H,4-6,10-11,17H2,1-3H3,(H,19,20)(H,21,22);1H