4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 2-(3-pyridyl)-4-(4-veratrylpiperazin-4-ium-1-yl)quinazoline Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)OC

InChI

InChI=1S/C26H27N5O2/c1-32-23-10-9-19(16-24(23)33-2)18-30-12-14-31(15-13-30)26-21-7-3-4-8-22(21)28-25(29-26)20-6-5-11-27-17-20/h3-11,16-17H,12-15,18H2,1-2H3/p+1