[(2S)-3-methyl-1-[methyl(2-pyridin-4-ylethyl)amino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[methyl(2-pyridin-4-ylethyl)amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[methyl(2-pyridin-4-ylethyl)amino]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[methyl(2-pyridin-4-ylethyl)amino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]propyl]ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CCC1=CC=NC=C1)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N(C)CCC1=CC=NC=C1)[NH3+]

InChI

InChI=1S/C13H21N3O/c1-10(2)12(14)13(17)16(3)9-6-11-4-7-15-8-5-11/h4-5,7-8,10,12H,6,9,14H2,1-3H3/p+1/t12-/m0/s1