3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylpyrazine-2-carboxylate

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylpyrazine-2-carboxylate Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)pyrazine-2-carboxylate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)pyrazine-2-carboxylate Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)pyrazinate Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NC=CN=C4C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NC=CN=C4C(=O)[O-]

InChI

InChI=1S/C23H22N4O3/c28-22(19-20(23(29)30)25-12-11-24-19)27-15-13-26(14-16-27)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2,(H,29,30)