2-[[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]amino]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]amino]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]amino]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[[(2R)-2-(1-azepan-1-iumyl)-3-methylbutyl]amino]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)-3-methylbutyl]amino]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]amino]-5-nitro-nicotinonitrile Formula: C17H26N5O2+ MolecularWeight: 332.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=NC=C(C=C1C#N)[N+](=O)[O-])[NH+]2CCCCCC2

Isomeric SMILES

CC(C)[C@H](CNC1=NC=C(C=C1C#N)[N+](=O)[O-])[NH+]2CCCCCC2

InChI

InChI=1S/C17H25N5O2/c1-13(2)16(21-7-5-3-4-6-8-21)12-20-17-14(10-18)9-15(11-19-17)22(23)24/h9,11,13,16H,3-8,12H2,1-2H3,(H,19,20)/p+1/t16-/m0/s1