3-azanyl-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrobromide

Systemtic Name: 3-azanyl-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrobromide Openeye Name: 3-amino-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrobromide CAS Name: 3-amino-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrobromide IUPAC Name: 3-amino-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrobromide Traditional Name: 3-amino-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid hydrobromide Formula: C18H31BrN2O4 MolecularWeight: 419.35374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC=C(C1(CCN(CC)CC)C(=O)O)N)C(=O)O.Br

Isomeric SMILES

CCCCC1(C=CC=C(C1(CCN(CC)CC)C(=O)O)N)C(=O)O.Br

InChI

InChI=1S/C18H30N2O4.BrH/c1-4-7-10-17(15(21)22)11-8-9-14(19)18(17,16(23)24)12-13-20(5-2)6-3;/h8-9,11H,4-7,10,12-13,19H2,1-3H3,(H,21,22)(H,23,24);1H