3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C16H18N5O2+ MolecularWeight: 312.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)C4=NC=CC=N4

InChI

InChI=1S/C16H17N5O2/c22-16-21(13-4-1-2-5-14(13)23-16)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2/p+1