(2S)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-N-prop-2-ynyl-propanamide

Systemtic Name: (2S)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-N-prop-2-ynyl-propanamide Openeye Name: (2S)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-prop-2-ynyl-propanamide CAS Name: (2S)-2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-prop-2-ynylpropanamide IUPAC Name: (2S)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-prop-2-ynylpropanamide Traditional Name: (2S)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-propargyl-propionamide Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)C(C)C(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)[C@@H](C)C(=O)NCC#C)C

InChI

InChI=1S/C20H26N2O2/c1-5-10-21-20(24)16(4)22-11-8-17(9-12-22)19(23)18-7-6-14(2)13-15(18)3/h1,6-7,13,16-17H,8-12H2,2-4H3,(H,21,24)/p+1/t16-/m0/s1