4-[2-(pyrrolidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(pyrrolidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-(pyrrolidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzonitrile CAS Name: 4-[2-(1-pyrrolidin-1-iumylmethyl)-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-(pyrrolidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-(pyrrolidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzonitrile Formula: C16H18N3+ MolecularWeight: 252.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CN2C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CN2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H17N3/c17-12-14-5-7-15(8-6-14)19-11-3-4-16(19)13-18-9-1-2-10-18/h3-8,11H,1-2,9-10,13H2/p+1