ethyl 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCOC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCOC2=CC=CC(=C2)C

InChI

InChI=1S/C18H27N3O4/c1-3-24-18(23)21-10-8-20(9-11-21)14-17(22)19-7-12-25-16-6-4-5-15(2)13-16/h4-6,13H,3,7-12,14H2,1-2H3,(H,19,22)/p+1