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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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