N-[2-(phenylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(phenylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-benzylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(phenylmethyl)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-benzylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C24H28N4O+2 MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H26N4O/c29-24(19-27-14-16-28(17-15-27)23-12-6-7-13-25-23)26-22-11-5-4-10-21(22)18-20-8-2-1-3-9-20/h1-13H,14-19H2,(H,26,29)/p+2