3-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-23-22(27)16-4-2-5-17(12-16)24-21(26)14-25-9-3-6-18(25)15-7-8-19-20(13-15)29-11-10-28-19/h2,4-5,7-8,12-13,18H,3,6,9-11,14H2,1H3,(H,23,27)(H,24,26)/p+1/t18-/m1/s1