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

Systemtic Name: [1-(2-cyanophenyl)pyrrol-2-yl]methyl-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]-(2-hydroxyethyl)ammonium CAS Name: [1-(2-cyanophenyl)-2-pyrrolyl]methyl-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]-(2-hydroxyethyl)ammonium Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c22-15-19-9-4-5-11-21(19)24-12-6-10-20(24)17-23(13-14-25)16-18-7-2-1-3-8-18/h1-12,25H,13-14,16-17H2/p+1