ethyl 4-[(3S)-1-(3-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(3-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(m-tolyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-2,5-diketo-1-(m-tolyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C18H23N3O4/c1-3-25-18(24)20-9-7-19(8-10-20)15-12-16(22)21(17(15)23)14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3/p+1/t15-/m0/s1