(2,4-dimethoxyphenyl)-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-(4-oxanyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C19H28NO4+ MolecularWeight: 334.42992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-22-16-5-6-17(18(12-16)23-2)19(21)14-4-3-9-20(13-14)15-7-10-24-11-8-15/h5-6,12,14-15H,3-4,7-11,13H2,1-2H3/p+1/t14-/m0/s1