5-nitro-2-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]benzenecarbonitrile Openeye Name: 5-nitro-2-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzonitrile CAS Name: 5-nitro-2-[3-(1-pyrrolidin-1-iumylmethyl)anilino]benzonitrile IUPAC Name: 5-nitro-2-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzonitrile Traditional Name: 5-nitro-2-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzonitrile Formula: C18H19N4O2+ MolecularWeight: 323.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H18N4O2/c19-12-15-11-17(22(23)24)6-7-18(15)20-16-5-3-4-14(10-16)13-21-8-1-2-9-21/h3-7,10-11,20H,1-2,8-9,13H2/p+1