2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-[(Z)-1-pyridin-3-ylethylideneamino]ethanamide

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-[(Z)-1-pyridin-3-ylethylideneamino]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-pyridyl)ethylideneamino]acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-N-[(Z)-1-(3-pyridinyl)ethylideneamino]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-pyridyl)ethylideneamino]acetamide Formula: C20H26N5O+ MolecularWeight: 352.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O/c1-17(19-8-5-9-21-14-19)22-23-20(26)16-25-12-10-24(11-13-25)15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,26)/p+1/b22-17-