hydron; (phenylmethyl) 4-(2-diethylaminoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate; bromide

Systemtic Name: hydron; (phenylmethyl) 4-(2-diethylaminoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate; bromide Openeye Name: benzyl 4-(2-diethylaminoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate; hydron; bromide CAS Name: 4-(2-diethylaminoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester; hydron; bromide IUPAC Name: benzyl 4-(2-diethylaminoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate; hydron; bromide Traditional Name: 4-(2-diethylaminoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester; hydron; bromide Formula: C20H29BrN2O2 MolecularWeight: 409.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].CCN(CC)CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C.[Br-]

Isomeric SMILES

[H+].CCN(CC)CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C20H28N2O2.BrH/c1-5-22(6-2)13-12-18-15(3)19(21-16(18)4)20(23)24-14-17-10-8-7-9-11-17;/h7-11,21H,5-6,12-14H2,1-4H3;1H