1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C21H24ClN4+ MolecularWeight: 367.89506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=C(N=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=C(N=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4/c22-21-20(9-4-10-23-21)26-11-5-8-19(26)17-25-14-12-24(13-15-25)16-18-6-2-1-3-7-18/h1-11H,12-17H2/p+1