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

Systemtic Name: N-[[(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-[(4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-(4-hydroxybenzyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)CC3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-26-19-8-10-20(11-9-19)27(24,25)21-13-17-3-2-12-22(15-17)14-16-4-6-18(23)7-5-16/h4-11,17,21,23H,2-3,12-15H2,1H3/p+1/t17-/m1/s1