ethyl 4-[[2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2,3-dioxoindolin-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2,3-dioxo-1-indolyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,3-dioxoindol-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2,3-diketoindolin-1-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C3=CC=CC=C3C(=O)C2=O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C16H19N3O4/c1-2-23-16(22)18-9-7-17(8-10-18)11-19-13-6-4-3-5-12(13)14(20)15(19)21/h3-6H,2,7-11H2,1H3/p+1