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1-[(3-methylphenyl)methyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylic acid

1-[(3-methylphenyl)methyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylic acid

Systemtic Name:1-[(3-methylphenyl)methyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylic acid
Openeye Name:1-(m-tolylmethyl)-2,5-dioxo-pyrrolidin-1-ium-1-carboxylic acid
CAS Name:1-[(3-methylphenyl)methyl]-2,5-dioxo-1-pyrrolidin-1-iumcarboxylic acid
IUPAC Name:1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-ium-1-carboxylic acid
Traditional Name:2,5-diketo-1-(3-methylbenzyl)pyrrolidin-1-ium-1-carboxylic acid
Formula: C13H14NO4+
MolecularWeight: 248.25456
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[N+]2(C(=O)CCC2=O)C(=O)O


Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2(C(=O)CCC2=O)C(=O)O


InChI

InChI=1S/C13H13NO4/c1-9-3-2-4-10(7-9)8-14(13(17)18)11(15)5-6-12(14)16/h2-4,7H,5-6,8H2,1H3/p+1


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