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

Systemtic Name: (4-dimethylaminophenyl)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]-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)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]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-17(26)21(14-18-8-6-5-7-9-18)23-22(27)16-25(4)15-19-10-12-20(13-11-19)24(2)3/h5-13,21H,14-16H2,1-4H3,(H,23,27)/p+1/t21-/m0/s1