2-[2-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrrol-1-yl]benzonitrile Formula: C18H23N4+ MolecularWeight: 295.40202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNCC2=CC=CN2C3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](C1)CCNCC2=CC=CN2C3=CC=CC=C3C#N

InChI

InChI=1S/C18H22N4/c19-14-16-6-1-2-8-18(16)22-12-5-7-17(22)15-20-9-13-21-10-3-4-11-21/h1-2,5-8,12,20H,3-4,9-11,13,15H2/p+1