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

Systemtic Name: 3-(2-methoxyphenyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-(2-methoxyphenyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(2-methoxyphenyl)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-(2-methoxyphenyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-3-(2-methoxyphenyl)-4aH-quinazolin-3-ium-4-one Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2=C(N=C3C=CC=CC3C2=O)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1[N+]2=C(N=C3C=CC=CC3C2=O)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N4O2/c1-33-25-14-8-7-13-24(25)31-26(28-23-12-6-5-11-22(23)27(31)32)20-30-17-15-29(16-18-30)19-21-9-3-2-4-10-21/h2-14,22H,15-20H2,1H3/q+1