5-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]benzonitrile CAS Name: 5-nitro-2-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]benzonitrile IUPAC Name: 5-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]benzonitrile Traditional Name: 5-nitro-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]benzonitrile Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O2/c20-12-17-11-18(23(24)25)7-8-19(17)21-13-15-3-5-16(6-4-15)14-22-9-1-2-10-22/h3-8,11,21H,1-2,9-10,13-14H2/p+1