(4-methoxyphenyl)-[1-[(4-phenylquinazolin-2-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[1-[(4-phenylquinazolin-2-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-methoxyphenyl)-[1-[(4-phenylquinazolin-2-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-methoxyphenyl)-[1-[(4-phenyl-2-quinazolinyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[1-[(4-phenylquinazolin-2-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-methoxyphenyl)-[1-[(4-phenylquinazolin-2-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C28H28N3O2+ MolecularWeight: 438.54082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c1-33-23-13-11-21(12-14-23)28(32)22-15-17-31(18-16-22)19-26-29-25-10-6-5-9-24(25)27(30-26)20-7-3-2-4-8-20/h2-14,22H,15-19H2,1H3/p+1