2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(4-phenyl-2-quinazolinyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5O/c30-22(28-12-6-7-13-28)18-27-14-16-29(17-15-27)24-25-21-11-5-4-10-20(21)23(26-24)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2/p+1