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

Systemtic Name: 4-[2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Formula: C24H26N3+ MolecularWeight: 356.48334

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CN3C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CN3C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H25N3/c25-18-22-8-10-23(11-9-22)27-14-4-7-24(27)19-26-15-12-21(13-16-26)17-20-5-2-1-3-6-20/h1-11,14,21H,12-13,15-17,19H2/p+1