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

Systemtic Name: N-(2,3-dimethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxidanidyl-2-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-benzyl-N-(2,3-dimethylphenyl)-4-isopentyloxy-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxido-2-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-benzyl-N-(2,3-dimethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 2-benzyl-N-(2,3-dimethylphenyl)-4-isoamoxy-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C27H32N2O3 MolecularWeight: 432.55458

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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-])CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C27H32N2O3/c1-18(2)14-15-32-25-16-20(4)29(31)24(17-22-11-7-6-8-12-22)26(25)27(30)28-23-13-9-10-19(3)21(23)5/h6-13,16,18H,14-15,17H2,1-5H3,(H,28,30)