2-(3-chloranyl-4-phenylmethoxy-phenyl)ethanoate; 1-methylpiperazin-1-ium

Systemtic Name: 2-(3-chloranyl-4-phenylmethoxy-phenyl)ethanoate; 1-methylpiperazin-1-ium Openeye Name: 2-(4-benzyloxy-3-chloro-phenyl)acetate; 1-methylpiperazin-1-ium CAS Name: 2-(3-chloro-4-phenylmethoxyphenyl)acetate; 1-methylpiperazin-1-ium IUPAC Name: 2-(3-chloro-4-phenylmethoxyphenyl)acetate; 1-methylpiperazin-1-ium Traditional Name: 2-(4-benzoxy-3-chloro-phenyl)acetate; 1-methylpiperazin-1-ium Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCNCC1.C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCNCC1.C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)[O-])Cl

InChI

InChI=1S/C15H13ClO3.C5H12N2/c16-13-8-12(9-15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11;1-7-4-2-6-3-5-7/h1-8H,9-10H2,(H,17,18);6H,2-5H2,1H3