5-[(E)-but-2-enyl]-4-chloranyl-N-(2,6-diethyl-4-methoxy-phenyl)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 5-[(E)-but-2-enyl]-4-chloranyl-N-(2,6-diethyl-4-methoxy-phenyl)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethyl-4-methoxy-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethyl-4-methoxyphenyl)-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethyl-4-methoxyphenyl)-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethyl-4-methoxy-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=CC)Cl)CC)OC

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)C/C=C/C)Cl)CC)OC

InChI

InChI=1S/C23H29ClN2O3/c1-7-10-11-19-14(4)26(28)15(5)20(21(19)24)23(27)25-22-16(8-2)12-18(29-6)13-17(22)9-3/h7,10,12-13H,8-9,11H2,1-6H3,(H,25,27)/b10-7+