N-ethyl-3-ethynyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide

Systemtic Name: N-ethyl-3-ethynyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide Openeye Name: N-ethyl-3-ethynyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide CAS Name: N-ethyl-3-ethynyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]benzamide IUPAC Name: N-ethyl-3-ethynyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide Traditional Name: N-ethyl-3-ethynyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide Formula: C26H33N2O+ MolecularWeight: 389.55302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=CC=CC(=C3)C#C

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=CC=CC(=C3)C#C

InChI

InChI=1S/C26H32N2O/c1-4-22-10-8-12-25(19-22)26(29)28(5-2)20-23-13-16-27(17-14-23)18-15-24-11-7-6-9-21(24)3/h1,6-12,19,23H,5,13-18,20H2,2-3H3/p+1