(phenylmethyl) 4-(1H-imidazol-2-yl)-1-(4-methoxyphenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(1H-imidazol-2-yl)-1-(4-methoxyphenyl)piperazin-1-ium-1-carboxylate Openeye Name: benzyl 4-(1H-imidazol-2-yl)-1-(4-methoxyphenyl)piperazin-1-ium-1-carboxylate CAS Name: 4-(1H-imidazol-2-yl)-1-(4-methoxyphenyl)-1-piperazin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1H-imidazol-2-yl)-1-(4-methoxyphenyl)piperazin-1-ium-1-carboxylate Traditional Name: 4-(1H-imidazol-2-yl)-1-(4-methoxyphenyl)piperazin-1-ium-1-carboxylic acid benzyl ester Formula: C22H25N4O3+ MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2(CCN(CC2)C3=NC=CN3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2(CCN(CC2)C3=NC=CN3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H25N4O3/c1-28-20-9-7-19(8-10-20)26(22(27)29-17-18-5-3-2-4-6-18)15-13-25(14-16-26)21-23-11-12-24-21/h2-12H,13-17H2,1H3,(H,23,24)/q+1