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N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-(4-methylsulfanylphenyl)ethanamide
N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-(4-methylsulfanylphenyl)ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NC(=O)CC3=CC=C(C=C3)SC
Isomeric SMILES
COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NC(=O)CC3=CC=C(C=C3)SC
InChI
InChI=1S/C22H28N2O2S/c1-26-20-7-3-5-18(13-20)15-24-12-4-6-19(16-24)23-22(25)14-17-8-10-21(27-2)11-9-17/h3,5,7-11,13,19H,4,6,12,14-16H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1
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