N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-(4-hydroxy-1-piperidyl)-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-(4-hydroxy-1-piperidinyl)-6-[4-(methylthio)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-(4-hydroxypiperidin-1-yl)-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-(4-hydroxypiperidino)-6-[4-(methylthio)phenyl]pyridin-1-ium-3-carboxamide Formula: C25H36N4O2S+2 MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C([NH+]=C(C=C2)C3=CC=C(C=C3)SC)N4CCC(CC4)O

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=C([NH+]=C(C=C2)C3=CC=C(C=C3)SC)N4CCC(CC4)O

InChI

InChI=1S/C25H34N4O2S/c1-3-28-14-4-5-19(28)17-26-25(31)22-10-11-23(18-6-8-21(32-2)9-7-18)27-24(22)29-15-12-20(30)13-16-29/h6-11,19-20,30H,3-5,12-17H2,1-2H3,(H,26,31)/p+2/t19-/m0/s1