2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-nitro-benzonitrile CAS Name: 2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-nitro-benzonitrile Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H18N4O2/c1-2-17-7-3-4-13(17)10-16-14-6-5-12(18(19)20)8-11(14)9-15/h5-6,8,13,16H,2-4,7,10H2,1H3/p+1/t13-/m0/s1