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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: 2-(4-methoxyphenyl)ethyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C26H31N7O+2 MolecularWeight: 457.57064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H29N7O/c1-34-21-9-7-20(8-10-21)11-14-27-25-22-5-2-3-6-23(22)30-24(31-25)19-32-15-17-33(18-16-32)26-28-12-4-13-29-26/h2-10,12-13H,11,14-19H2,1H3,(H,27,30,31)/p+2