[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(4-benzyloxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(4-benzoxybenzyl)-ethyl-amino]-2-keto-ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C24H24N2O5/c1-2-25(23(27)18-31-24(28)21-12-14-26(29)15-13-21)16-19-8-10-22(11-9-19)30-17-20-6-4-3-5-7-20/h3-15H,2,16-18H2,1H3