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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-[(diphenylmethyl)amino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [(1R)-2-(benzhydrylamino)-2-keto-1-methyl-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H28N2O3/c1-19(28(2)18-20-13-14-23-24(17-20)31-16-15-30-23)26(29)27-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19,25H,15-16,18H2,1-2H3,(H,27,29)/p+1/t19-/m1/s1