3-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Openeye Name: 3-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one CAS Name: 3-(2,5-dimethoxyphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-quinazolinone IUPAC Name: 3-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 3-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3/c1-33-21-12-13-25(34-2)24(18-21)31-26(28-23-11-7-6-10-22(23)27(31)32)19-29-14-16-30(17-15-29)20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3/p+1