N-[[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H26N2O4S/c1-27-19-8-10-21(11-9-19)29(25,26)23-14-17-5-4-12-24(15-17)16-20-13-18-6-2-3-7-22(18)28-20/h2-3,6-11,13,17,23H,4-5,12,14-16H2,1H3/p+1/t17-/m1/s1