N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-methylsulfanyl-propanamide Openeye Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-methylsulfanylpropanamide Traditional Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-(methylthio)propionamide Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCSC

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCSC

InChI

InChI=1S/C17H27N3OS/c1-20(15-8-4-3-5-9-15)17-14(7-6-11-18-17)13-19-16(21)10-12-22-2/h6-7,11,15H,3-5,8-10,12-13H2,1-2H3,(H,19,21)/p+1