4-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]quinazolin-3-ium IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium Formula: C27H31ClN8+2 MolecularWeight: 503.04164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N4CCN(CC4)C5=CC(=CC=C5)Cl)C6=NC=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N4CCN(CC4)C5=CC(=CC=C5)Cl)C6=NC=CC=N6

InChI

InChI=1S/C27H29ClN8/c28-21-5-3-6-22(19-21)34-15-17-35(18-16-34)26-23-7-1-2-8-24(23)31-25(32-26)20-33-11-13-36(14-12-33)27-29-9-4-10-30-27/h1-10,19H,11-18,20H2/p+2