2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C[N+]3=C(NC4=CC=CC=C43)NCCO

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C[N+]3=C(NC4=CC=CC=C43)NCCO

InChI

InChI=1S/C22H27N5O2/c28-15-10-23-22-24-19-8-4-5-9-20(19)27(22)17-21(29)26-13-11-25(12-14-26)16-18-6-2-1-3-7-18/h1-9,28H,10-17H2,(H,23,24)/p+1