N-[(5-methylfuran-2-yl)methyl]-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propanamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-3-[(3R)-1-(4-thianyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propionamide Formula: C19H31N2O2S+ MolecularWeight: 351.52664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)CCC2CCC[NH+](C2)C3CCSCC3

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)CC[C@H]2CCC[NH+](C2)C3CCSCC3

InChI

InChI=1S/C19H30N2O2S/c1-15-4-6-18(23-15)13-20-19(22)7-5-16-3-2-10-21(14-16)17-8-11-24-12-9-17/h4,6,16-17H,2-3,5,7-14H2,1H3,(H,20,22)/p+1/t16-/m1/s1