(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)-methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: (1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: (2-amino-1,1-dimethyl-2-oxo-ethyl)-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: (1-amino-2-methyl-1-oxopropan-2-yl)-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: (1-amino-2-methyl-1-oxopropan-2-yl)-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: (2-amino-2-keto-1,1-dimethyl-ethyl)-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C12H20N3O+ MolecularWeight: 222.3067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O/c1-12(2,11(13)16)15(3)9-6-10-4-7-14-8-5-10/h4-5,7-8H,6,9H2,1-3H3,(H2,13,16)/p+1