(1,1-dideuterio-4-oxidanylidene-4-pyridin-1-ium-3-yl-butyl)-methyl-azanium

Systemtic Name: (1,1-dideuterio-4-oxidanylidene-4-pyridin-1-ium-3-yl-butyl)-methyl-azanium Openeye Name: (1,1-dideuterio-4-oxo-4-pyridin-1-ium-3-yl-butyl)-methyl-ammonium CAS Name: [1,1-dideuterio-4-oxo-4-(3-pyridin-1-iumyl)butyl]-methylammonium IUPAC Name: (1,1-dideuterio-4-oxo-4-pyridin-1-ium-3-ylbutyl)-methylazanium Traditional Name: (1,1-dideuterio-4-keto-4-pyridin-1-ium-3-yl-butyl)-methyl-ammonium Formula: C10H16N2O+2 MolecularWeight: 182.259164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCC(=O)C1=C[NH+]=CC=C1

Isomeric SMILES

[2H]C([2H])(CCC(=O)C1=C[NH+]=CC=C1)[NH2+]C

InChI

InChI=1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3/p+2/i6D2