3-(2-ethoxyphenyl)-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-(2-ethoxyphenyl)-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(2-ethoxyphenyl)quinazolin-4-one CAS Name: 3-(2-ethoxyphenyl)-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(2-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-o-phenetyl-quinazolin-4-one Formula: C29H32N3O2+ MolecularWeight: 454.58328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c1-2-34-27-15-9-8-14-26(27)32-28(30-25-13-7-6-12-24(25)29(32)33)21-31-18-16-23(17-19-31)20-22-10-4-3-5-11-22/h3-15,23H,2,16-21H2,1H3/p+1