1-(3-oxidanyl-5-prop-2-enoxy-phenyl)piperazin-1-ium-1-carboxylic acid

Systemtic Name: 1-(3-oxidanyl-5-prop-2-enoxy-phenyl)piperazin-1-ium-1-carboxylic acid Openeye Name: 1-(3-allyloxy-5-hydroxy-phenyl)piperazin-1-ium-1-carboxylic acid CAS Name: 1-(3-hydroxy-5-prop-2-enoxyphenyl)-1-piperazin-1-iumcarboxylic acid IUPAC Name: 1-(3-hydroxy-5-prop-2-enoxyphenyl)piperazin-1-ium-1-carboxylic acid Traditional Name: 1-(3-allyloxy-5-hydroxy-phenyl)piperazin-1-ium-1-carboxylic acid Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-2-7-20-13-9-11(8-12(17)10-13)16(14(18)19)5-3-15-4-6-16/h2,8-10,15H,1,3-7H2,(H-,17,18,19)/p+1