ethyl 2-[1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)OC)C

Isomeric SMILES

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)OC)C

InChI

InChI=1S/C17H24N2O4/c1-4-23-16(20)10-14-17(21)18-7-8-19(14)11-13-5-6-15(22-3)12(2)9-13/h5-6,9,14H,4,7-8,10-11H2,1-3H3,(H,18,21)/p+1