(4-dimethylaminophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C16H28N3O+ MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-12(2)17-16(20)13(3)19(6)11-14-7-9-15(10-8-14)18(4)5/h7-10,12-13H,11H2,1-6H3,(H,17,20)/p+1/t13-/m0/s1