[(3S)-piperidin-1-ium-3-yl]-(2,3,5,6-tetramethylphenyl)methanone

Systemtic Name: [(3S)-piperidin-1-ium-3-yl]-(2,3,5,6-tetramethylphenyl)methanone Openeye Name: [(3S)-piperidin-1-ium-3-yl]-(2,3,5,6-tetramethylphenyl)methanone CAS Name: [(3S)-3-piperidin-1-iumyl]-(2,3,5,6-tetramethylphenyl)methanone IUPAC Name: [(3S)-piperidin-1-ium-3-yl]-(2,3,5,6-tetramethylphenyl)methanone Traditional Name: [(3S)-piperidin-1-ium-3-yl]-(2,3,5,6-tetramethylphenyl)methanone Formula: C16H24NO+ MolecularWeight: 246.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)C2CCC[NH2+]C2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)[C@H]2CCC[NH2+]C2)C)C

InChI

InChI=1S/C16H23NO/c1-10-8-11(2)13(4)15(12(10)3)16(18)14-6-5-7-17-9-14/h8,14,17H,5-7,9H2,1-4H3/p+1/t14-/m0/s1