ethyl 4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H24N3O6+ MolecularWeight: 378.39966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C18H23N3O6/c1-3-25-18(24)21-6-4-20(5-7-21)10-17(23)19-14-9-16-15(26-11-27-16)8-13(14)12(2)22/h8-9H,3-7,10-11H2,1-2H3,(H,19,23)/p+1