methyl 4-(2-piperazin-4-ium-1-ylethoxy)benzoate

Systemtic Name: methyl 4-(2-piperazin-4-ium-1-ylethoxy)benzoate Openeye Name: methyl 4-(2-piperazin-4-ium-1-ylethoxy)benzoate CAS Name: 4-[2-(1-piperazin-4-iumyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-(2-piperazin-4-ium-1-ylethoxy)benzoate Traditional Name: 4-(2-piperazin-4-ium-1-ylethoxy)benzoic acid methyl ester Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCN2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCN2CC[NH2+]CC2

InChI

InChI=1S/C14H20N2O3/c1-18-14(17)12-2-4-13(5-3-12)19-11-10-16-8-6-15-7-9-16/h2-5,15H,6-11H2,1H3/p+1