(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-N-mesityl-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H28N2O/c1-12-7-6-8-20(11-12)16(5)18(21)19-17-14(3)9-13(2)10-15(17)4/h9-10,12,16H,6-8,11H2,1-5H3,(H,19,21)/p+1/t12-,16-/m0/s1