2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethanol

Systemtic Name: 2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethanol Openeye Name: 2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethanol CAS Name: 2-[[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]amino]ethanol IUPAC Name: 2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethanol Traditional Name: 2-[[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amino]ethanol Formula: C19H25N7O+2 MolecularWeight: 367.4481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCO)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCO)C4=NC=CC=N4

InChI

InChI=1S/C19H23N7O/c27-13-8-20-18-15-4-1-2-5-16(15)23-17(24-18)14-25-9-11-26(12-10-25)19-21-6-3-7-22-19/h1-7,27H,8-14H2,(H,20,23,24)/p+2