N-[(1R)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide

Systemtic Name: N-[(1R)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide Openeye Name: N-[(1R)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide CAS Name: N-[(1R)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-3-thiophenecarboxamide IUPAC Name: N-[(1R)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide Traditional Name: N-[(1R)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide Formula: C28H33N2O3S+ MolecularWeight: 477.63822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCCO4)C(=O)C5=CSC=C5

Isomeric SMILES

CN([C@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCCO4)C(=O)C5=CSC=C5

InChI

InChI=1S/C28H32N2O3S/c1-29(28(31)24-11-16-34-20-24)25(17-21-5-3-2-4-6-21)23-9-12-30(13-10-23)19-22-7-8-26-27(18-22)33-15-14-32-26/h2-8,11,16,18,20,23,25H,9-10,12-15,17,19H2,1H3/p+1/t25-/m1/s1