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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-2-thienylmethyleneamino]acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-2-thenylideneamino]acetamide Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C/C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4OS/c23-18(20-19-13-17-7-4-12-24-17)15-22-10-8-21(9-11-22)14-16-5-2-1-3-6-16/h1-7,12-13H,8-11,14-15H2,(H,20,23)/p+1/b19-13+