2-[4-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(N2CCO)C=C(C=C3)Cl)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(N2CCO)C=C(C=C3)Cl)C4=CC=CC=C4O

InChI

InChI=1S/C20H23ClN4O2/c21-15-5-6-16-18(13-15)25(11-12-26)20(22-16)14-23-7-9-24(10-8-23)17-3-1-2-4-19(17)27/h1-6,13,26-27H,7-12,14H2/p+1