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

Systemtic Name: 4-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzonitrile CAS Name: 4-[2-(1-piperidin-1-iumylmethyl)-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]benzonitrile Formula: C17H20N3+ MolecularWeight: 266.3608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CN2C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CN2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H19N3/c18-13-15-6-8-16(9-7-15)20-12-4-5-17(20)14-19-10-2-1-3-11-19/h4-9,12H,1-3,10-11,14H2/p+1