5-nitro-2-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]benzenecarbonitrile Openeye Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]benzonitrile IUPAC Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-5-nitro-benzonitrile Formula: C18H19N4O2+ MolecularWeight: 323.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@H]1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2/c19-11-15-10-17(22(23)24)6-7-18(15)20-16-8-9-21(13-16)12-14-4-2-1-3-5-14/h1-7,10,16,20H,8-9,12-13H2/p+1/t16-/m1/s1