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

Systemtic Name: ethyl 3-(4-phenylpiperazin-1-ium-1-yl)propanoate Openeye Name: ethyl 3-(4-phenylpiperazin-1-ium-1-yl)propanoate CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-phenylpiperazin-1-ium-1-yl)propanoate Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)propionic acid ethyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-2-19-15(18)8-9-16-10-12-17(13-11-16)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3/p+1