ethyl 4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C(=O)OCC)C

InChI

InChI=1S/C18H27N3O3/c1-4-15-8-6-7-14(3)17(15)19-16(22)13-20-9-11-21(12-10-20)18(23)24-5-2/h6-8H,4-5,9-13H2,1-3H3,(H,19,22)/p+1