2-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-quinazolin-4-one Openeye Name: 2-(1-benzylpiperidin-1-ium-4-yl)-1H-quinazolin-4-one CAS Name: 2-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1H-quinazolin-4-one IUPAC Name: 2-(1-benzylpiperidin-1-ium-4-yl)-1H-quinazolin-4-one Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)-1H-quinazolin-4-one Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O/c24-20-17-8-4-5-9-18(17)21-19(22-20)16-10-12-23(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,22,24)/p+1