2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3O/c26-22-19-8-4-5-9-20(19)23-21(24-22)16-25-14-12-18(13-15-25)11-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,24,26)/p+1