2-[4-[4-(4-carbamimidoylphenyl)phenyl]-1-(phenylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)phenyl]-1-(phenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[1-benzyl-4-[4-(4-carbamimidoylphenyl)phenyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)phenyl]-1-(phenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-benzyl-4-[4-(4-carbamimidoylphenyl)phenyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(4-amidinophenyl)phenyl]-1-benzyl-piperazin-1-ium-1-yl]acetate Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)(CC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1C[N+](CCN1C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)(CC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C26H28N4O2/c27-26(28)23-8-6-21(7-9-23)22-10-12-24(13-11-22)29-14-16-30(17-15-29,19-25(31)32)18-20-4-2-1-3-5-20/h1-13H,14-19H2,(H3-,27,28,31,32)