(4-chlorophenyl)-[(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-(2-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C20H23ClNO3+ MolecularWeight: 360.85452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3/c1-25-18-8-9-19(23)16(11-18)13-22-10-2-3-15(12-22)20(24)14-4-6-17(21)7-5-14/h4-9,11,15,23H,2-3,10,12-13H2,1H3/p+1/t15-/m0/s1