4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzonitrile CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitrobenzonitrile IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitrobenzonitrile Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzonitrile Formula: C14H19N4O3+ MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O3/c15-11-12-2-3-13(14(10-12)18(19)20)16-4-1-5-17-6-8-21-9-7-17/h2-3,10,16H,1,4-9H2/p+1