ethyl (2S)-2-[4-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate

Systemtic Name: ethyl (2S)-2-[4-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate Openeye Name: ethyl (2S)-2-[4-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate CAS Name: (2S)-2-[4-(1-piperazin-4-iumylmethyl)phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate Traditional Name: (2S)-2-[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)C(C)OC1=CC=C(C=C1)CN2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=CC=C(C=C1)CN2CC[NH2+]CC2

InChI

InChI=1S/C16H24N2O3/c1-3-20-16(19)13(2)21-15-6-4-14(5-7-15)12-18-10-8-17-9-11-18/h4-7,13,17H,3,8-12H2,1-2H3/p+1/t13-/m0/s1