3-ethyl-2-[1-(2-methylphenyl)-1-phenylazanyl-piperidin-1-ium-4-yl]quinazolin-4-one

Systemtic Name: 3-ethyl-2-[1-(2-methylphenyl)-1-phenylazanyl-piperidin-1-ium-4-yl]quinazolin-4-one Openeye Name: 2-[1-anilino-1-(o-tolyl)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one CAS Name: 2-[1-anilino-1-(2-methylphenyl)-4-piperidin-1-iumyl]-3-ethyl-4-quinazolinone IUPAC Name: 2-[1-anilino-1-(2-methylphenyl)piperidin-1-ium-4-yl]-3-ethylquinazolin-4-one Traditional Name: 2-[1-anilino-1-(o-tolyl)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one Formula: C28H31N4O+ MolecularWeight: 439.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CC=CC=C2C1=O)C3CC[N+](CC3)(C4=CC=CC=C4C)NC5=CC=CC=C5

Isomeric SMILES

CCN1C(=NC2=CC=CC=C2C1=O)C3CC[N+](CC3)(C4=CC=CC=C4C)NC5=CC=CC=C5

InChI

InChI=1S/C28H31N4O/c1-3-31-27(29-25-15-9-8-14-24(25)28(31)33)22-17-19-32(20-18-22,26-16-10-7-11-21(26)2)30-23-12-5-4-6-13-23/h4-16,22,30H,3,17-20H2,1-2H3/q+1