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

Systemtic Name: N-[[(3S)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-[(3-acetylphenyl)methyl]-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-(3-acetylbenzyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4S/c1-17(25)20-7-3-5-18(13-20)15-24-12-4-6-19(16-24)14-23-29(26,27)22-10-8-21(28-2)9-11-22/h3,5,7-11,13,19,23H,4,6,12,14-16H2,1-2H3/p+1/t19-/m1/s1