3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]quinazolin-4-one CAS Name: 3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]quinazolin-4-one Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O/c25-21-19-8-4-5-9-20(19)22-15-24(21)16-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,15,18H,10-14,16H2/p+1