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

Systemtic Name: 3-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C21H23N2O4+ MolecularWeight: 367.41832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H22N2O4/c24-21-23(17-5-1-2-7-18(17)27-21)14-22-10-3-6-16(22)15-8-9-19-20(13-15)26-12-4-11-25-19/h1-2,5,7-9,13,16H,3-4,6,10-12,14H2/p+1/t16-/m1/s1