5-azanyl-2-[1-(3,5-dimethylphenyl)-1-pyridin-2-yl-piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one

Systemtic Name: 5-azanyl-2-[1-(3,5-dimethylphenyl)-1-pyridin-2-yl-piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one Openeye Name: 5-amino-2-[1-(3,5-dimethylphenyl)-1-(2-pyridyl)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one CAS Name: 5-amino-2-[1-(3,5-dimethylphenyl)-1-(2-pyridinyl)-4-piperidin-1-iumyl]-3-ethyl-4-quinazolinone IUPAC Name: 5-amino-2-[1-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidin-1-ium-4-yl]-3-ethylquinazolin-4-one Traditional Name: 5-amino-2-[1-(3,5-dimethylphenyl)-1-(2-pyridyl)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one Formula: C28H32N5O+ MolecularWeight: 454.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C(C1=O)C(=CC=C2)N)C3CC[N+](CC3)(C4=CC=CC=N4)C5=CC(=CC(=C5)C)C

Isomeric SMILES

CCN1C(=NC2=C(C1=O)C(=CC=C2)N)C3CC[N+](CC3)(C4=CC=CC=N4)C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C28H31N5O/c1-4-32-27(31-24-9-7-8-23(29)26(24)28(32)34)21-11-14-33(15-12-21,25-10-5-6-13-30-25)22-17-19(2)16-20(3)18-22/h5-10,13,16-18,21H,4,11-12,14-15H2,1-3H3,(H-,29,34)/p+1