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

Systemtic Name: 2-[1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 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]acetate IUPAC Name: 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]acetate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)[O-])OC

InChI

InChI=1S/C15H20N2O4/c1-10-7-11(3-4-13(10)21-2)9-17-6-5-16-15(20)12(17)8-14(18)19/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,20)(H,18,19)