5-nitro-2-[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]benzenecarbonitrile Openeye Name: 5-nitro-2-[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]benzonitrile CAS Name: 5-nitro-2-[[(1S)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]benzonitrile IUPAC Name: 5-nitro-2-[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]benzonitrile Traditional Name: 5-nitro-2-[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]benzonitrile Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2/c20-13-16-12-17(23(24)25)8-9-18(16)21-19(14-22-10-4-5-11-22)15-6-2-1-3-7-15/h1-3,6-9,12,19,21H,4-5,10-11,14H2/p+1/t19-/m1/s1