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

Systemtic Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(E)-1-thiophen-2-ylethylideneamino]ethanamide Openeye Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(E)-1-(2-thienyl)ethylideneamino]acetamide CAS Name: 2-[4-[(2-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide IUPAC Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide Traditional Name: 2-[4-(2-chlorobenzyl)piperazin-1-ium-1-yl]-N-[(E)-1-(2-thienyl)ethylideneamino]acetamide Formula: C19H24ClN4OS+ MolecularWeight: 391.93806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2Cl)C3=CC=CS3

Isomeric SMILES

C/C(=N\NC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2Cl)/C3=CC=CS3

InChI

InChI=1S/C19H23ClN4OS/c1-15(18-7-4-12-26-18)21-22-19(25)14-24-10-8-23(9-11-24)13-16-5-2-3-6-17(16)20/h2-7,12H,8-11,13-14H2,1H3,(H,22,25)/p+1/b21-15+