N-[(E)-1-naphthalen-2-ylethylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(E)-1-naphthalen-2-ylethylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-1-(2-naphthyl)ethylideneamino]acetamide CAS Name: N-[(E)-1-(2-naphthalenyl)ethylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-1-(2-naphthyl)ethylideneamino]acetamide Formula: C25H29N4O+ MolecularWeight: 401.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=N\NC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H28N4O/c1-20(23-12-11-22-9-5-6-10-24(22)17-23)26-27-25(30)19-29-15-13-28(14-16-29)18-21-7-3-2-4-8-21/h2-12,17H,13-16,18-19H2,1H3,(H,27,30)/p+1/b26-20+