(2S)-1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-ethylphenyl)-2-methyl-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ium-1-yl-propan-1-one Formula: C17H26NO+ MolecularWeight: 260.39444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)C[NH+]2CCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@@H](C)C[NH+]2CCCCC2

InChI

InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3/p+1/t14-/m0/s1