2-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(E)-1-pyridin-3-ylethylideneamino]ethanamide

Systemtic Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(E)-1-pyridin-3-ylethylideneamino]ethanamide Openeye Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(E)-1-(3-pyridyl)ethylideneamino]acetamide CAS Name: 2-[4-[(2-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-[(E)-1-(3-pyridinyl)ethylideneamino]acetamide IUPAC Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide Traditional Name: 2-[4-(2-chlorobenzyl)piperazin-1-ium-1-yl]-N-[(E)-1-(3-pyridyl)ethylideneamino]acetamide Formula: C20H25ClN5O+ MolecularWeight: 386.8984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2Cl)C3=CN=CC=C3

Isomeric SMILES

C/C(=N\NC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2Cl)/C3=CN=CC=C3

InChI

InChI=1S/C20H24ClN5O/c1-16(17-6-4-8-22-13-17)23-24-20(27)15-26-11-9-25(10-12-26)14-18-5-2-3-7-19(18)21/h2-8,13H,9-12,14-15H2,1H3,(H,24,27)/p+1/b23-16+