2-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2R)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-5-nitro-benzonitrile Formula: C17H25N4O2+ MolecularWeight: 317.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)[NH+]2CCCC2

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)[NH+]2CCCC2

InChI

InChI=1S/C17H24N4O2/c1-13(2)9-16(20-7-3-4-8-20)12-19-17-6-5-15(21(22)23)10-14(17)11-18/h5-6,10,13,16,19H,3-4,7-9,12H2,1-2H3/p+1/t16-/m1/s1