N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]propionamide Formula: C24H31N2O3S+ MolecularWeight: 427.57954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H30N2O3S/c1-30-21-4-2-3-19(15-21)17-26-11-9-18(10-12-26)5-8-24(27)25-20-6-7-22-23(16-20)29-14-13-28-22/h2-4,6-7,15-16,18H,5,8-14,17H2,1H3,(H,25,27)/p+1