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

Systemtic Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-[3-(4-morpholin-4-iumyl)propylamino]-2-(4-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-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=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c18-12-15-17(19-6-1-7-21-8-10-25-11-9-21)26-16(20-15)13-2-4-14(5-3-13)22(23)24/h2-5,19H,1,6-11H2/p+1