methyl 3-(4-phenylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: methyl 3-(4-phenylpiperazin-1-ium-1-yl)propanoate Openeye Name: methyl 3-(4-phenylpiperazin-1-ium-1-yl)propanoate CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-phenylpiperazin-1-ium-1-yl)propanoate Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)propionic acid methyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c1-18-14(17)7-8-15-9-11-16(12-10-15)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1