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

Systemtic Name: ethyl 3-[4-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate Openeye Name: ethyl 3-[4-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate CAS Name: 3-[4-(1-piperazin-4-iumylmethyl)phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate Traditional Name: 3-[4-(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=C(C=C1)CN2CC[NH2+]CC2

Isomeric SMILES

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

InChI

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