1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O4/c1-15(24)18(10-16-6-4-3-5-7-16)22-21(25)13-23(2)12-17-8-9-19-20(11-17)27-14-26-19/h3-9,11,18H,10,12-14H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1