N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]propionamide Formula: C21H35N2O3S+ MolecularWeight: 395.5792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CCCSC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3S/c1-25-19-9-8-18(20(14-19)26-2)15-22-21(24)10-7-17-6-4-11-23(16-17)12-5-13-27-3/h8-9,14,17H,4-7,10-13,15-16H2,1-3H3,(H,22,24)/p+1/t17-/m1/s1