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

Systemtic Name: 3-ethyl-2-[1-(2-ethylphenyl)-1-phenylazanyl-piperidin-1-ium-4-yl]quinazolin-4-one Openeye Name: 2-[1-anilino-1-(2-ethylphenyl)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one CAS Name: 2-[1-anilino-1-(2-ethylphenyl)-4-piperidin-1-iumyl]-3-ethyl-4-quinazolinone IUPAC Name: 2-[1-anilino-1-(2-ethylphenyl)piperidin-1-ium-4-yl]-3-ethylquinazolin-4-one Traditional Name: 2-[1-anilino-1-(2-ethylphenyl)piperidin-1-ium-4-yl]-3-ethyl-quinazolin-4-one Formula: C29H33N4O+ MolecularWeight: 453.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1[N+]2(CCC(CC2)C3=NC4=CC=CC=C4C(=O)N3CC)NC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=CC=C1[N+]2(CCC(CC2)C3=NC4=CC=CC=C4C(=O)N3CC)NC5=CC=CC=C5

InChI

InChI=1S/C29H33N4O/c1-3-22-12-8-11-17-27(22)33(31-24-13-6-5-7-14-24)20-18-23(19-21-33)28-30-26-16-10-9-15-25(26)29(34)32(28)4-2/h5-17,23,31H,3-4,18-21H2,1-2H3/q+1