3-(6-butan-2-ylphthalazin-2-ium-2-yl)propanoic acid

Systemtic Name: 3-(6-butan-2-ylphthalazin-2-ium-2-yl)propanoic acid Openeye Name: 3-(6-sec-butylphthalazin-2-ium-2-yl)propanoic acid CAS Name: 3-(6-butan-2-yl-2-phthalazin-2-iumyl)propanoic acid IUPAC Name: 3-(6-butan-2-ylphthalazin-2-ium-2-yl)propanoic acid Traditional Name: 3-(6-sec-butylphthalazin-2-ium-2-yl)propionic acid Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=CN=[N+](C=C2C=C1)CCC(=O)O

Isomeric SMILES

CCC(C)C1=CC2=CN=[N+](C=C2C=C1)CCC(=O)O

InChI

InChI=1S/C15H18N2O2/c1-3-11(2)12-4-5-13-10-17(7-6-15(18)19)16-9-14(13)8-12/h4-5,8-11H,3,6-7H2,1-2H3/p+1