(4-ethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-ethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: (4-ethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: (4-ethoxyphenyl)-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-ethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-piperidin-1-ium-3-yl]-p-phenetyl-methanone Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2CCC[NH2+]C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H19NO2/c1-2-17-13-7-5-11(6-8-13)14(16)12-4-3-9-15-10-12/h5-8,12,15H,2-4,9-10H2,1H3/p+1/t12-/m0/s1