N-(2,3-dimethylphenyl)-6-methyl-1-oxidanidyl-4-prop-2-enoxy-2-propyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-6-methyl-1-oxidanidyl-4-prop-2-enoxy-2-propyl-pyridin-1-ium-3-carboxamide Openeye Name: 4-allyloxy-N-(2,3-dimethylphenyl)-6-methyl-1-oxido-2-propyl-pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-6-methyl-1-oxido-4-prop-2-enoxy-2-propyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-6-methyl-1-oxido-4-prop-2-enoxy-2-propylpyridin-1-ium-3-carboxamide Traditional Name: 4-allyloxy-N-(2,3-dimethylphenyl)-6-methyl-1-oxido-2-propyl-pyridin-1-ium-3-carboxamide Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=[N+]1[O-])C)OCC=C)C(=O)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCCC1=C(C(=CC(=[N+]1[O-])C)OCC=C)C(=O)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C21H26N2O3/c1-6-9-18-20(19(26-12-7-2)13-15(4)23(18)25)21(24)22-17-11-8-10-14(3)16(17)5/h7-8,10-11,13H,2,6,9,12H2,1,3-5H3,(H,22,24)