N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-2-methylsulfanyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Systemtic Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-2-methylsulfanyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-2-methylsulfanyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: N-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-2-(methylthio)-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-2-methylsulfanyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-2-(methylthio)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C22H35N2O3S+ MolecularWeight: 407.5899

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)CN(CC2CCCO2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

COCC[NH+]1CCC(CC1)CN(C[C@H]2CCCO2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H34N2O3S/c1-26-15-13-23-11-9-18(10-12-23)16-24(17-19-6-5-14-27-19)22(25)20-7-3-4-8-21(20)28-2/h3-4,7-8,18-19H,5-6,9-17H2,1-2H3/p+1/t19-/m1/s1