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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-(4-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile Formula: C16H18N5O3+ MolecularWeight: 328.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3/c1-2-19-7-9-20(10-8-19)16-14(11-17)18-15(24-16)12-3-5-13(6-4-12)21(22)23/h3-6H,2,7-10H2,1H3/p+1