5-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-(4-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile Formula: C15H16N5O3+ MolecularWeight: 314.31924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H15N5O3/c1-18-6-8-19(9-7-18)15-13(10-16)17-14(23-15)11-2-4-12(5-3-11)20(21)22/h2-5H,6-9H2,1H3/p+1