3-(1H-benzimidazol-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O/c26-21(11-10-20-22-18-8-4-5-9-19(18)23-20)25-14-12-24(13-15-25)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,23)/p+1