N-[1-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-benzyl-2-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-benzyl-2-[1-[2-(cyclohexylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-yl]-2-keto-ethyl]thiophene-2-carboxamide Formula: C26H34N3O4S+ MolecularWeight: 484.63086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4)O

InChI

InChI=1S/C26H33N3O4S/c30-23(22-14-9-17-34-22)28-21(18-19-10-3-1-4-11-19)25(32)29(15-7-8-16-29)26(33)24(31)27-20-12-5-2-6-13-20/h1,3-4,9-11,14,17,20-21,26,33H,2,5-8,12-13,15-16,18H2,(H-,27,28,30,31)/p+1