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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-methyl-veratryl-ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-11(2)17-16(19)12(3)18(4)10-13-7-8-14(20-5)15(9-13)21-6/h7-9,11-12H,10H2,1-6H3,(H,17,19)/p+1/t12-/m0/s1