[(3S)-1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(4-acetylphenyl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-(4-acetylphenyl)sulfonyl-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(4-acetylphenyl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-18(25)20-10-12-22(13-11-20)28(26,27)24-15-6-9-21(17-24)23(2)16-14-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3/p+1/t21-/m0/s1