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

Systemtic Name: ethyl 4-[2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-2,5-dioxo-pyrrolidin-3-yl)piperazin-4-ium-1-carboxylate CAS Name: 4-[2,5-dioxo-1-(phenylmethyl)-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-2,5-dioxopyrrolidin-3-yl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(1-benzyl-2,5-diketo-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)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O4/c1-2-25-18(24)20-10-8-19(9-11-20)15-12-16(22)21(17(15)23)13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3/p+1