1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium Traditional Name: [(1R)-2-cumidino-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O3/c1-14(2)17-6-8-18(9-7-17)22-21(24)15(3)23(4)12-16-5-10-19-20(11-16)26-13-25-19/h5-11,14-15H,12-13H2,1-4H3,(H,22,24)/p+1/t15-/m1/s1