[1-(2-cyanophenyl)pyrrol-2-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [1-(2-cyanophenyl)pyrrol-2-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]-methyl-ammonium CAS Name: [1-(2-cyanophenyl)-2-pyrrolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]-methylazanium Traditional Name: benzyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]-methyl-ammonium Formula: C20H20N3+ MolecularWeight: 302.3929

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=CC=CC=C3C#N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=CC=CC=C3C#N

InChI

InChI=1S/C20H19N3/c1-22(15-17-8-3-2-4-9-17)16-19-11-7-13-23(19)20-12-6-5-10-18(20)14-21/h2-13H,15-16H2,1H3/p+1