N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: [2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]-veratryl-amine Formula: C26H31N7O2+2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5)OC

InChI

InChI=1S/C26H29N7O2/c1-34-22-9-8-19(16-23(22)35-2)17-29-25-20-6-3-4-7-21(20)30-24(31-25)18-32-12-14-33(15-13-32)26-27-10-5-11-28-26/h3-11,16H,12-15,17-18H2,1-2H3,(H,29,30,31)/p+2