3-azanyl-1-[3-(dibutylamino)propyl]-2-propyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride

Systemtic Name: 3-azanyl-1-[3-(dibutylamino)propyl]-2-propyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Openeye Name: 3-amino-1-[3-(dibutylamino)propyl]-2-propyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride CAS Name: 3-amino-1-[3-(dibutylamino)propyl]-2-propylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride IUPAC Name: 3-amino-1-[3-(dibutylamino)propyl]-2-propylcyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Traditional Name: 3-amino-1-[3-(dibutylamino)propyl]-2-propyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrochloride Formula: C22H39ClN2O4 MolecularWeight: 431.00906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC1(C=CC=C(C1(CCC)C(=O)O)N)C(=O)O.Cl

Isomeric SMILES

CCCCN(CCCC)CCCC1(C=CC=C(C1(CCC)C(=O)O)N)C(=O)O.Cl

InChI

InChI=1S/C22H38N2O4.ClH/c1-4-7-15-24(16-8-5-2)17-10-14-21(19(25)26)13-9-11-18(23)22(21,12-6-3)20(27)28;/h9,11,13H,4-8,10,12,14-17,23H2,1-3H3,(H,25,26)(H,27,28);1H