4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methyl-4-oxo-quinazolin-3-yl)benzamide CAS Name: 4-(2-methyl-4-oxo-3-quinazolinyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(4-keto-2-methyl-quinazolin-3-yl)benzamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-20-29-26-10-6-5-9-25(26)28(34)32(20)24-13-11-22(12-14-24)27(33)30-23-15-17-31(18-16-23)19-21-7-3-2-4-8-21/h2-14,23H,15-19H2,1H3,(H,30,33)/p+1