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

Systemtic Name: 2-[(1-ethylpiperidin-1-ium-4-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(1-ethylpiperidin-1-ium-4-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[(1-ethyl-4-piperidin-1-iumyl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(1-ethylpiperidin-1-ium-4-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(1-ethylpiperidin-1-ium-4-yl)amino]-5-nitro-benzonitrile Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-2-17-7-5-12(6-8-17)16-14-4-3-13(18(19)20)9-11(14)10-15/h3-4,9,12,16H,2,5-8H2,1H3/p+1