1-(cyclohexylmethyl)-2,3-bis(oxidanylidene)indol-1-ium-1-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-2,3-bis(oxidanylidene)indol-1-ium-1-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-2,3-dioxo-indolin-1-ium-1-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-2,3-dioxo-1-indol-1-iumcarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-2,3-dioxoindol-1-ium-1-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-2,3-diketo-indolin-1-ium-1-carboxylic acid Formula: C16H18NO4+ MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[N+]2(C3=CC=CC=C3C(=O)C2=O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C[N+]2(C3=CC=CC=C3C(=O)C2=O)C(=O)O

InChI

InChI=1S/C16H17NO4/c18-14-12-8-4-5-9-13(12)17(15(14)19,16(20)21)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2/p+1