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

Systemtic Name: ethyl 4-[(3S)-1-(2-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(2-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-(2-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-2,5-diketo-1-(2-methoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H24N3O5+ MolecularWeight: 362.40026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3OC

InChI

InChI=1S/C18H23N3O5/c1-3-26-18(24)20-10-8-19(9-11-20)14-12-16(22)21(17(14)23)13-6-4-5-7-15(13)25-2/h4-7,14H,3,8-12H2,1-2H3/p+1/t14-/m0/s1