3,5-dimethoxy-N-[[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methyl]benzamide CAS Name: 3,5-dimethoxy-N-[[(3R)-1-(4-thianyl)-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methyl]benzamide Formula: C20H31N2O3S+ MolecularWeight: 379.53674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2CCC[NH+](C2)C3CCSCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC[C@H]2CCC[NH+](C2)C3CCSCC3)OC

InChI

InChI=1S/C20H30N2O3S/c1-24-18-10-16(11-19(12-18)25-2)20(23)21-13-15-4-3-7-22(14-15)17-5-8-26-9-6-17/h10-12,15,17H,3-9,13-14H2,1-2H3,(H,21,23)/p+1/t15-/m1/s1