ethyl 4-[3-[(2-methoxy-5-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-[(2-methoxy-5-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(2-methoxy-5-methyl-anilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-keto-3-(2-methoxy-5-methyl-anilino)propyl]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)CCC(=O)NC2=C(C=CC(=C2)C)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C18H27N3O4/c1-4-25-18(23)21-11-9-20(10-12-21)8-7-17(22)19-15-13-14(2)5-6-16(15)24-3/h5-6,13H,4,7-12H2,1-3H3,(H,19,22)/p+1