(3,4-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-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-veratryl-ammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-16(25)19(12-17-8-6-5-7-9-17)23-22(26)15-24(2)14-18-10-11-20(27-3)21(13-18)28-4/h5-11,13,19H,12,14-15H2,1-4H3,(H,23,26)/p+1/t19-/m0/s1