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

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C21H25ClNO3+ MolecularWeight: 374.8811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C21H24ClNO3/c1-14-11-17(22)8-9-18(14)20(24)15-6-4-10-23(12-15)13-16-5-3-7-19(26-2)21(16)25/h3,5,7-9,11,15,25H,4,6,10,12-13H2,1-2H3/p+1/t15-/m0/s1