N-[[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3S)-1-[(3-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3S)-1-(3-hydroxybenzyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC(=CC=C2)O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2O2S/c21-16-6-1-4-14(10-16)12-20-8-2-5-15(13-20)11-19-18(22)17-7-3-9-23-17/h1,3-4,6-7,9-10,15,21H,2,5,8,11-13H2,(H,19,22)/p+1/t15-/m0/s1