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

Systemtic Name: 4-[2-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

C1CC[NH+](C1)CCNCC2=CC=CN2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H22N4/c19-14-16-5-7-17(8-6-16)22-12-3-4-18(22)15-20-9-13-21-10-1-2-11-21/h3-8,12,20H,1-2,9-11,13,15H2/p+1