N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(4-ethanoylphenoxy)-N-methyl-ethanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(4-ethanoylphenoxy)-N-methyl-ethanamide Openeye Name: 2-(4-acetylphenoxy)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-acetamide CAS Name: 2-(4-acetylphenoxy)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methylacetamide IUPAC Name: 2-(4-acetylphenoxy)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methylacetamide Traditional Name: 2-(4-acetylphenoxy)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-acetamide Formula: C25H31N2O3+ MolecularWeight: 407.52524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)N(C)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)N(C)[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C25H30N2O3/c1-18(28)19-9-11-24(12-10-19)30-17-25(29)26(2)22-8-5-13-27(16-22)23-14-20-6-3-4-7-21(20)15-23/h3-4,6-7,9-12,22-23H,5,8,13-17H2,1-2H3/p+1/t22-/m0/s1