N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-(2,5-dimethoxyphenyl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]acetamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-2-(2,5-dimethoxyphenyl)acetamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-(2,5-dimethoxyphenyl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]acetamide Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC(=O)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC(=O)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C24H30N2O3/c1-28-22-9-10-23(29-2)19(14-22)15-24(27)25-20-8-5-11-26(16-20)21-12-17-6-3-4-7-18(17)13-21/h3-4,6-7,9-10,14,20-21H,5,8,11-13,15-16H2,1-2H3,(H,25,27)/p+1/t20-/m0/s1