N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]propionamide Formula: C24H33N2O3S+ MolecularWeight: 429.59542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCC2CCC[NH+](C2)CC3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C24H32N2O3S/c1-28-21-13-20(14-22(15-21)29-2)25-24(27)11-8-18-5-4-12-26(16-18)17-19-6-9-23(30-3)10-7-19/h6-7,9-10,13-15,18H,4-5,8,11-12,16-17H2,1-3H3,(H,25,27)/p+1/t18-/m1/s1