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

Systemtic Name: (2-methoxy-5-methyl-phenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: (2-methoxy-5-methyl-phenyl)-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: (2-methoxy-5-methylphenyl)-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: (2-methoxy-5-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: (2-methoxy-5-methyl-phenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H19NO2/c1-10-5-6-13(17-2)12(8-10)14(16)11-4-3-7-15-9-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3/p+1/t11-/m0/s1