1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-3-methyl-piperazin-1-ium-1,4-dicarboxylic acid

Systemtic Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-3-methyl-piperazin-1-ium-1,4-dicarboxylic acid Openeye Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-3-methyl-piperazin-1-ium-1,4-dicarboxylic acid CAS Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-3-methylpiperazin-1-ium-1,4-dicarboxylic acid IUPAC Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-3-methylpiperazin-1-ium-1,4-dicarboxylic acid Traditional Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-3-methyl-piperazin-1-ium-1,4-dicarboxylic acid Formula: C19H22N5O4+ MolecularWeight: 384.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CCN1C(=O)O)(C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C(=O)O

Isomeric SMILES

CC1C[N+](CCN1C(=O)O)(C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C(=O)O

InChI

InChI=1S/C19H21N5O4/c1-13-11-24(19(27)28,7-6-23(13)18(25)26)17(16-10-21-12-22-16)8-14-2-4-15(9-20)5-3-14/h2-5,10,12-13,17H,6-8,11H2,1H3,(H2-,21,22,25,26,27,28)/p+1