1-[3,5-bis(prop-2-enoxy)phenyl]piperazin-1-ium-1-carboxylic acid

Systemtic Name: 1-[3,5-bis(prop-2-enoxy)phenyl]piperazin-1-ium-1-carboxylic acid Openeye Name: 1-(3,5-diallyloxyphenyl)piperazin-1-ium-1-carboxylic acid CAS Name: 1-[3,5-bis(prop-2-enoxy)phenyl]-1-piperazin-1-iumcarboxylic acid IUPAC Name: 1-[3,5-bis(prop-2-enoxy)phenyl]piperazin-1-ium-1-carboxylic acid Traditional Name: 1-(3,5-diallyloxyphenyl)piperazin-1-ium-1-carboxylic acid Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC(=CC(=C1)[N+]2(CCNCC2)C(=O)O)OCC=C

Isomeric SMILES

C=CCOC1=CC(=CC(=C1)[N+]2(CCNCC2)C(=O)O)OCC=C

InChI

InChI=1S/C17H22N2O4/c1-3-9-22-15-11-14(12-16(13-15)23-10-4-2)19(17(20)21)7-5-18-6-8-19/h3-4,11-13,18H,1-2,5-10H2/p+1