2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C16H21N5O2S+2 MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H19N5O2S/c17-15(23)12-4-10-24-16(12)19-14(22)11-20-6-8-21(9-7-20)13-3-1-2-5-18-13/h1-5,10H,6-9,11H2,(H2,17,23)(H,19,22)/p+2