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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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