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

Systemtic Name: N-[[(3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-[(4-ethylphenyl)methyl]-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-(4-ethylbenzyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N2O3S/c1-3-18-6-8-19(9-7-18)16-24-14-4-5-20(17-24)15-23-28(25,26)22-12-10-21(27-2)11-13-22/h6-13,20,23H,3-5,14-17H2,1-2H3/p+1/t20-/m1/s1