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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O3/c1-23(15-17-6-3-2-4-7-17)22(25)16-24-11-5-8-19(24)18-9-10-20-21(14-18)27-13-12-26-20/h2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3/p+1/t19-/m0/s1