ethyl 4-[(3S)-1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[1-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-[2-(2-ketopyrrolidino)acetyl]-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H31N4O4+ MolecularWeight: 367.46314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CN3CCCC3=O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CN3CCCC3=O

InChI

InChI=1S/C18H30N4O4/c1-2-26-18(25)20-11-9-19(10-12-20)15-5-3-7-21(13-15)17(24)14-22-8-4-6-16(22)23/h15H,2-14H2,1H3/p+1/t15-/m0/s1