2-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]benzenecarbonitrile Openeye Name: 2-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]benzonitrile CAS Name: 2-[3-[1-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolyl]phenyl]benzonitrile IUPAC Name: 2-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]benzonitrile Traditional Name: 2-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]benzonitrile Formula: C22H23N4+ MolecularWeight: 343.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C=CC(=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC[NH+](C1)CCN2C=CC(=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H22N4/c23-17-20-6-1-2-9-21(20)18-7-5-8-19(16-18)22-10-13-26(24-22)15-14-25-11-3-4-12-25/h1-2,5-10,13,16H,3-4,11-12,14-15H2/p+1