2-[3-azanyl-4-(cyclohexylmethyl)-1,6-dimethyl-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-azanyl-4-(cyclohexylmethyl)-1,6-dimethyl-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-amino-4-(cyclohexylmethyl)-1,6-dimethyl-2-oxo-pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-amino-4-(cyclohexylmethyl)-1,6-dimethyl-2-oxo-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[3-amino-4-(cyclohexylmethyl)-1,6-dimethyl-2-oxopyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-amino-4-(cyclohexylmethyl)-2-keto-1,6-dimethyl-pyridin-1-ium-1-yl]acetate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])N)CC2CCCCC2

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])N)CC2CCCCC2

InChI

InChI=1S/C16H24N2O3/c1-11-8-13(9-12-6-4-3-5-7-12)15(17)16(21)18(11,2)10-14(19)20/h8,12H,3-7,9-10,17H2,1-2H3