1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide perchlorate

Systemtic Name: 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide perchlorate Openeye Name: N-(3-hydroxypropyl)-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-4-carboxamide perchlorate CAS Name: N-(3-hydroxypropyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4-pyridin-1-iumcarboxamide perchlorate IUPAC Name: N-(3-hydroxypropyl)-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-4-carboxamide perchlorate Traditional Name: N-(3-hydroxypropyl)-1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-4-carboxamide perchlorate Formula: C15H17ClN2O7S MolecularWeight: 404.82268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CSC(=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H16N2O3S.ClHO4/c18-9-2-6-16-15(20)12-4-7-17(8-5-12)11-13(19)14-3-1-10-21-14;2-1(3,4)5/h1,3-5,7-8,10,18H,2,6,9,11H2;(H,2,3,4,5)