1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(diphenylmethyl)amino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [(1R)-2-(benzhydrylamino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C25H27N2O3+ MolecularWeight: 403.49348

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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)OCO4

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26N2O3/c1-18(27(2)16-19-13-14-22-23(15-19)30-17-29-22)25(28)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,18,24H,16-17H2,1-2H3,(H,26,28)/p+1/t18-/m1/s1