6-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: 6-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: 6-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[oxo-[4-(4-phenyl-2-quinazolinyl)-1-piperazin-4-iumyl]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 6-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)C5CC=CCC5C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)C5CC=CCC5C(=O)[O-]

InChI

InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)