methyl 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate Openeye Name: methyl 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]acetic acid methyl ester Formula: C14H21ClN2O2+2 MolecularWeight: 284.78174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H19ClN2O2/c1-19-14(18)11-17-7-5-16(6-8-17)10-12-3-2-4-13(15)9-12/h2-4,9H,5-8,10-11H2,1H3/p+2