5-nitro-2-[(1-propylpiperidin-1-ium-4-yl)amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(1-propylpiperidin-1-ium-4-yl)amino]benzenecarbonitrile Openeye Name: 5-nitro-2-[(1-propylpiperidin-1-ium-4-yl)amino]benzonitrile CAS Name: 5-nitro-2-[(1-propyl-4-piperidin-1-iumyl)amino]benzonitrile IUPAC Name: 5-nitro-2-[(1-propylpiperidin-1-ium-4-yl)amino]benzonitrile Traditional Name: 5-nitro-2-[(1-propylpiperidin-1-ium-4-yl)amino]benzonitrile Formula: C15H21N4O2+ MolecularWeight: 289.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H20N4O2/c1-2-7-18-8-5-13(6-9-18)17-15-4-3-14(19(20)21)10-12(15)11-16/h3-4,10,13,17H,2,5-9H2,1H3/p+1