[1-(4-cyanophenyl)pyrrol-2-yl]methyl-(2-dimethylaminoethyl)-(phenylmethyl)azanium

Systemtic Name: [1-(4-cyanophenyl)pyrrol-2-yl]methyl-(2-dimethylaminoethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]-(2-dimethylaminoethyl)ammonium CAS Name: [1-(4-cyanophenyl)-2-pyrrolyl]methyl-(2-dimethylaminoethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]-(2-dimethylaminoethyl)azanium Traditional Name: benzyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]-(2-dimethylaminoethyl)ammonium Formula: C23H27N4+ MolecularWeight: 359.48728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4/c1-25(2)15-16-26(18-21-7-4-3-5-8-21)19-23-9-6-14-27(23)22-12-10-20(17-24)11-13-22/h3-14H,15-16,18-19H2,1-2H3/p+1