[2,4-di(propan-2-yl)phenyl]-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: [2,4-di(propan-2-yl)phenyl]-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-diisopropylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: [2,4-di(propan-2-yl)phenyl]-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: [2,4-di(propan-2-yl)phenyl]-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-diisopropylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C18H28NO+ MolecularWeight: 274.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO/c1-12(2)14-7-8-16(17(10-14)13(3)4)18(20)15-6-5-9-19-11-15/h7-8,10,12-13,15,19H,5-6,9,11H2,1-4H3/p+1/t15-/m0/s1