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

Systemtic Name: (2R)-2-phenyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethanoate Openeye Name: (2R)-2-phenyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]acetate CAS Name: (2R)-2-phenyl-2-[[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]amino]acetate IUPAC Name: (2R)-2-phenyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]acetate Traditional Name: (2R)-2-phenyl-2-[[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amino]acetate Formula: C25H26N7O2+ MolecularWeight: 456.51964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NC(C4=CC=CC=C4)C(=O)[O-])C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N[C@H](C4=CC=CC=C4)C(=O)[O-])C5=NC=CC=N5

InChI

InChI=1S/C25H25N7O2/c33-24(34)22(18-7-2-1-3-8-18)30-23-19-9-4-5-10-20(19)28-21(29-23)17-31-13-15-32(16-14-31)25-26-11-6-12-27-25/h1-12,22H,13-17H2,(H,33,34)(H,28,29,30)/p+1/t22-/m1/s1