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

Systemtic Name: [(3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C21H25ClNO4+ MolecularWeight: 390.8805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4/c1-26-17-7-3-5-15(11-17)20(24)16-6-4-8-23(13-16)12-14-9-18(22)21(25)19(10-14)27-2/h3,5,7,9-11,16,25H,4,6,8,12-13H2,1-2H3/p+1/t16-/m0/s1