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

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N2O4/c1-16-6-8-20(27-2)18(13-16)24-23(26)15-25-10-3-5-19(25)17-7-9-21-22(14-17)29-12-4-11-28-21/h6-9,13-14,19H,3-5,10-12,15H2,1-2H3,(H,24,26)/p+1/t19-/m1/s1