3-ethynyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 3-ethynyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 3-ethynyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 3-ethynyl-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-ethynyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 3-ethynyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C23H27N2O+ MolecularWeight: 347.47328

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#C

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#C

InChI

InChI=1S/C23H26N2O/c1-3-19-11-7-12-21(17-19)23(26)24(2)22-13-8-15-25(18-22)16-14-20-9-5-4-6-10-20/h1,4-7,9-12,17,22H,8,13-16,18H2,2H3/p+1/t22-/m0/s1