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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O.Br

Isomeric SMILES

CCC(C)C1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O.Br

InChI

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