ethyl 4-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(5-quinolylamino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(5-quinolinylamino)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(quinolin-5-ylamino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(5-quinolylamino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C18H22N4O3/c1-2-25-18(24)22-11-9-21(10-12-22)13-17(23)20-16-7-3-6-15-14(16)5-4-8-19-15/h3-8H,2,9-13H2,1H3,(H,20,23)/p+1