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

Systemtic Name: 2-[1-(3-chlorophenyl)-1-phenylazanyl-piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one Openeye Name: 2-[1-anilino-1-(3-chlorophenyl)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one CAS Name: 2-[1-anilino-1-(3-chlorophenyl)-4-piperidin-1-iumyl]-3-ethyl-4-quinazolinone IUPAC Name: 2-[1-anilino-1-(3-chlorophenyl)piperidin-1-ium-4-yl]-3-ethylquinazolin-4-one Traditional Name: 2-[1-anilino-1-(3-chlorophenyl)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one Formula: C27H28ClN4O+ MolecularWeight: 459.99042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN4O/c1-2-31-26(29-25-14-7-6-13-24(25)27(31)33)20-15-17-32(18-16-20,23-12-8-9-21(28)19-23)30-22-10-4-3-5-11-22/h3-14,19-20,30H,2,15-18H2,1H3/q+1