N-[[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-28-23-14-6-5-12-22(23)13-8-16-25-15-7-11-21(18-25)17-24-29(26,27)19-20-9-3-2-4-10-20/h2-6,8-10,12-14,21,24H,7,11,15-19H2,1H3/p+1/b13-8+/t21-/m1/s1