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

Systemtic Name: N-(2,6-diethylphenyl)-6-methyl-1-oxidanidyl-2-(phenylmethyl)-4-propoxy-pyridin-1-ium-3-carboxamide Openeye Name: 2-benzyl-N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-6-methyl-1-oxido-2-(phenylmethyl)-4-propoxy-3-pyridin-1-iumcarboxamide IUPAC Name: 2-benzyl-N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxypyridin-1-ium-3-carboxamide Traditional Name: 2-benzyl-N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2CC)CC)CC3=CC=CC=C3)[O-])C

Isomeric SMILES

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2CC)CC)CC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C27H32N2O3/c1-5-16-32-24-17-19(4)29(31)23(18-20-12-9-8-10-13-20)25(24)27(30)28-26-21(6-2)14-11-15-22(26)7-3/h8-15,17H,5-7,16,18H2,1-4H3,(H,28,30)