N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxidanidyl-2-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxidanidyl-2-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-benzyl-N-(2,6-diethylphenyl)-4-isopentyloxy-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxido-2-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-benzyl-N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 2-benzyl-N-(2,6-diethylphenyl)-4-isoamoxy-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O3/c1-6-23-14-11-15-24(7-2)28(23)30-29(32)27-25(19-22-12-9-8-10-13-22)31(33)21(5)18-26(27)34-17-16-20(3)4/h8-15,18,20H,6-7,16-17,19H2,1-5H3,(H,30,32)