N-(2,3-dimethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-4-isopentyloxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-4-isoamoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])C)C

InChI

InChI=1S/C21H28N2O3/c1-13(2)10-11-26-19-12-15(4)23(25)17(6)20(19)21(24)22-18-9-7-8-14(3)16(18)5/h7-9,12-13H,10-11H2,1-6H3,(H,22,24)