5-(3-morpholin-4-ium-4-ylpropylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-[3-(4-morpholin-4-iumyl)propylamino]-2-(2-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile Formula: C17H20N5O4+ MolecularWeight: 358.3718

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(N=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(N=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C17H19N5O4/c18-12-14-17(19-6-3-7-21-8-10-25-11-9-21)26-16(20-14)13-4-1-2-5-15(13)22(23)24/h1-2,4-5,19H,3,6-11H2/p+1