2-[1-(4-chlorophenyl)-1-(pyridin-2-ylamino)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[1-(4-chlorophenyl)-1-(pyridin-2-ylamino)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one Openeye Name: 2-[1-(4-chlorophenyl)-1-(2-pyridylamino)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one CAS Name: 2-[1-(4-chlorophenyl)-1-(2-pyridinylamino)-4-piperidin-1-iumyl]-3-ethyl-4-quinazolinone IUPAC Name: 2-[1-(4-chlorophenyl)-1-(pyridin-2-ylamino)piperidin-1-ium-4-yl]-3-ethylquinazolin-4-one Traditional Name: 2-[1-(4-chlorophenyl)-1-(2-pyridylamino)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one Formula: C26H27ClN5O+ MolecularWeight: 460.97848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CC=CC=C2C1=O)C3CC[N+](CC3)(C4=CC=C(C=C4)Cl)NC5=CC=CC=N5

Isomeric SMILES

CCN1C(=NC2=CC=CC=C2C1=O)C3CC[N+](CC3)(C4=CC=C(C=C4)Cl)NC5=CC=CC=N5

InChI

InChI=1S/C26H27ClN5O/c1-2-31-25(29-23-8-4-3-7-22(23)26(31)33)19-14-17-32(18-15-19,21-12-10-20(27)11-13-21)30-24-9-5-6-16-28-24/h3-13,16,19H,2,14-15,17-18H2,1H3,(H,28,30)/q+1