ethyl 3-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate

Systemtic Name: ethyl 3-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate Openeye Name: ethyl 3-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate CAS Name: 3-[3-(1-piperazin-4-iumylmethyl)phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate Traditional Name: 3-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propionic acid ethyl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCOC1=CC=CC(=C1)CN2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)CCOC1=CC=CC(=C1)CN2CC[NH2+]CC2

InChI

InChI=1S/C16H24N2O3/c1-2-20-16(19)6-11-21-15-5-3-4-14(12-15)13-18-9-7-17-8-10-18/h3-5,12,17H,2,6-11,13H2,1H3/p+1