2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O3/c1-15(21(24)23-10-9-17-5-3-4-6-18(17)23)22(2)14-16-7-8-19-20(13-16)26-12-11-25-19/h3-8,13,15H,9-12,14H2,1-2H3/p+1/t15-/m1/s1