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

Systemtic Name: 3-(1-phenylbenzimidazol-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one CAS Name: 3-(1-phenyl-2-benzimidazolyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c32-27(30-19-17-29(18-20-30)21-22-9-3-1-4-10-22)16-15-26-28-24-13-7-8-14-25(24)31(26)23-11-5-2-6-12-23/h1-14H,15-21H2/p+1