3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-(4-p-anisylpiperazin-4-ium-1-yl)ethyl]quinazolin-4-one Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O3/c1-29-18-8-6-17(7-9-18)14-24-10-12-25(13-11-24)21(27)15-26-16-23-20-5-3-2-4-19(20)22(26)28/h2-9,16H,10-15H2,1H3/p+1