(2R)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]pyrrolidine-2-carboxylate Formula: C22H26N7O2+ MolecularWeight: 420.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5)C(=O)[O-]

InChI

InChI=1S/C22H25N7O2/c30-21(31)18-7-3-10-29(18)20-16-5-1-2-6-17(16)25-19(26-20)15-27-11-13-28(14-12-27)22-23-8-4-9-24-22/h1-2,4-6,8-9,18H,3,7,10-15H2,(H,30,31)/p+1/t18-/m1/s1