(2,3-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-[(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]ammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-cumidino-2-keto-1-methyl-ethyl]-methyl-o-veratryl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-15(2)17-10-12-19(13-11-17)23-22(25)16(3)24(4)14-18-8-7-9-20(26-5)21(18)27-6/h7-13,15-16H,14H2,1-6H3,(H,23,25)/p+1/t16-/m0/s1