3-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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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)OCCCO4

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H27N3O4/c1-24-23(28)17-5-2-6-18(13-17)25-22(27)15-26-10-3-7-19(26)16-8-9-20-21(14-16)30-12-4-11-29-20/h2,5-6,8-9,13-14,19H,3-4,7,10-12,15H2,1H3,(H,24,28)(H,25,27)/p+1/t19-/m1/s1