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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=C(C=C3)O)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)O)Cl

InChI

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