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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(4-oxanyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C18H25ClNO3+ MolecularWeight: 338.849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCC[NH+](C2)C3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)C3CCOCC3

InChI

InChI=1S/C18H24ClNO3/c1-22-17-5-4-14(19)11-16(17)18(21)13-3-2-8-20(12-13)15-6-9-23-10-7-15/h4-5,11,13,15H,2-3,6-10,12H2,1H3/p+1/t13-/m0/s1