2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-[(E)-pyridin-4-ylmethylideneamino]ethanamide

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-[(E)-pyridin-4-ylmethylideneamino]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-4-pyridylmethyleneamino]acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-4-pyridylmethyleneamino]acetamide Formula: C19H24N5O+ MolecularWeight: 338.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC=NC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C/C2=CC=NC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O/c25-19(22-21-14-17-6-8-20-9-7-17)16-24-12-10-23(11-13-24)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,22,25)/p+1/b21-14+