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

Systemtic Name: N-(2-morpholin-4-ylethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-(2-morpholinoethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-[2-(4-morpholinyl)ethyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-(2-morpholin-4-ylethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: 2-morpholinoethyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C23H32N8O+2 MolecularWeight: 436.55318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCN4CCOCC4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCN4CCOCC4)C5=NC=CC=N5

InChI

InChI=1S/C23H30N8O/c1-2-5-20-19(4-1)22(24-8-9-29-14-16-32-17-15-29)28-21(27-20)18-30-10-12-31(13-11-30)23-25-6-3-7-26-23/h1-7H,8-18H2,(H,24,27,28)/p+2