1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H23N4O+ MolecularWeight: 335.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O/c1-15(25)16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-20-21-18-4-2-3-5-19(18)22-20/h2-9H,10-14H2,1H3,(H,21,22)/p+1