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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=CC(=C(C=C3)O)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C20H22ClNO3/c1-25-19-7-3-2-6-16(19)20(24)15-5-4-10-22(13-15)12-14-8-9-18(23)17(21)11-14/h2-3,6-9,11,15,23H,4-5,10,12-13H2,1H3/p+1/t15-/m0/s1