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

Systemtic Name: 2-[methyl-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]ethanoate Openeye Name: 2-[methyl-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]acetate CAS Name: 2-[methyl-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]amino]acetate IUPAC Name: 2-[methyl-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]acetate Traditional Name: 2-[methyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amino]acetate Formula: C20H24N7O2+ MolecularWeight: 394.45026

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)[O-])C1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(CC(=O)[O-])C1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7O2/c1-25(14-18(28)29)19-15-5-2-3-6-16(15)23-17(24-19)13-26-9-11-27(12-10-26)20-21-7-4-8-22-20/h2-8H,9-14H2,1H3,(H,28,29)/p+1