ethyl 4-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=CNC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=CNC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H26N4O4/c1-2-26-18(25)22-9-7-20(8-10-22)13-16(23)14-11-15(19-12-14)17(24)21-5-3-4-6-21/h11-12,19H,2-10,13H2,1H3/p+1