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

Systemtic Name: (2S,3S)-2-(2-ethylphenyl)-3-methyl-piperidin-1-ium-4-one Openeye Name: (2S,3S)-2-(2-ethylphenyl)-3-methyl-piperidin-1-ium-4-one CAS Name: (2S,3S)-2-(2-ethylphenyl)-3-methyl-4-piperidin-1-iumone IUPAC Name: (2S,3S)-2-(2-ethylphenyl)-3-methylpiperidin-1-ium-4-one Traditional Name: (2S,3S)-2-(2-ethylphenyl)-3-methyl-piperidin-1-ium-4-one Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2C(C(=O)CC[NH2+]2)C

Isomeric SMILES

CCC1=CC=CC=C1[C@@H]2[C@@H](C(=O)CC[NH2+]2)C

InChI

InChI=1S/C14H19NO/c1-3-11-6-4-5-7-12(11)14-10(2)13(16)8-9-15-14/h4-7,10,14-15H,3,8-9H2,1-2H3/p+1/t10-,14+/m1/s1