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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: homoveratryl-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C17H29N2O3+ MolecularWeight: 309.42376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+](C)CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+](C)CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H28N2O3/c1-12(2)18-17(20)13(3)19(4)10-9-14-7-8-15(21-5)16(11-14)22-6/h7-8,11-13H,9-10H2,1-6H3,(H,18,20)/p+1/t13-/m0/s1