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

Systemtic Name: (2S)-1-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]propan-2-ol Openeye Name: (2S)-1-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]propan-2-ol CAS Name: (2S)-1-[[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]amino]-2-propanol IUPAC Name: (2S)-1-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]propan-2-ol Traditional Name: (2S)-1-[[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amino]propan-2-ol Formula: C20H27N7O+2 MolecularWeight: 381.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4)O

Isomeric SMILES

C[C@@H](CNC1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4)O

InChI

InChI=1S/C20H25N7O/c1-15(28)13-23-19-16-5-2-3-6-17(16)24-18(25-19)14-26-9-11-27(12-10-26)20-21-7-4-8-22-20/h2-8,15,28H,9-14H2,1H3,(H,23,24,25)/p+2/t15-/m0/s1