4-methoxy-N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C23H31N2O4S+ MolecularWeight: 431.56824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30N2O4S/c1-28-21-9-7-19(8-10-21)5-3-15-25-16-4-6-20(18-25)17-24-30(26,27)23-13-11-22(29-2)12-14-23/h3,5,7-14,20,24H,4,6,15-18H2,1-2H3/p+1/b5-3+/t20-/m1/s1