2-[2-[(phenylmethyl)amino]benzimidazol-1-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[2-[(phenylmethyl)amino]benzimidazol-1-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[2-(benzylamino)benzimidazol-1-yl]-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[2-[(phenylmethyl)amino]-1-benzimidazolyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[2-(benzylamino)benzimidazol-1-yl]-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[2-(benzylamino)benzimidazol-1-yl]-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=C3NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=C3NCC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O/c33-26(31-17-15-30(16-18-31)20-23-11-5-2-6-12-23)21-32-25-14-8-7-13-24(25)29-27(32)28-19-22-9-3-1-4-10-22/h1-14H,15-21H2,(H,28,29)/p+1