6,7-dimethoxy-2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline

Systemtic Name: 6,7-dimethoxy-2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline Openeye Name: 6,7-dimethoxy-2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline CAS Name: 6,7-dimethoxy-2-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]quinazoline IUPAC Name: 6,7-dimethoxy-2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline Traditional Name: 6,7-dimethoxy-2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)quinazoline Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=[NH+]5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=[NH+]5)OC

InChI

InChI=1S/C25H25N5O2/c1-31-21-16-19-20(17-22(21)32-2)27-24(18-8-4-3-5-9-18)28-25(19)30-14-12-29(13-15-30)23-10-6-7-11-26-23/h3-11,16-17H,12-15H2,1-2H3/p+1