(3-chlorophenyl)-[(3S)-1-[(2-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(2-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(4-hydroxy-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(4-hydroxy-2-methoxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C20H23ClNO3+ MolecularWeight: 360.85452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3/c1-25-19-11-18(23)8-7-15(19)12-22-9-3-5-16(13-22)20(24)14-4-2-6-17(21)10-14/h2,4,6-8,10-11,16,23H,3,5,9,12-13H2,1H3/p+1/t16-/m0/s1