2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-ethylphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-ethylphenyl)ethanamide Openeye Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-ethylphenyl)acetamide CAS Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-(3-ethylphenyl)acetamide IUPAC Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-ethylphenyl)acetamide Traditional Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-ethylphenyl)acetamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O3/c1-2-16-5-3-6-18(13-16)23-22(25)15-24-10-4-7-19(24)17-8-9-20-21(14-17)27-12-11-26-20/h3,5-6,8-9,13-14,19H,2,4,7,10-12,15H2,1H3,(H,23,25)/p+1/t19-/m0/s1