4-[4-azanyl-1-(phenylmethyl)phthalazin-2-ium-2-yl]butanoic acid

Systemtic Name: 4-[4-azanyl-1-(phenylmethyl)phthalazin-2-ium-2-yl]butanoic acid Openeye Name: 4-(4-amino-1-benzyl-phthalazin-2-ium-2-yl)butanoic acid CAS Name: 4-[4-amino-1-(phenylmethyl)-2-phthalazin-2-iumyl]butanoic acid IUPAC Name: 4-(4-amino-1-benzylphthalazin-2-ium-2-yl)butanoic acid Traditional Name: 4-(4-amino-1-benzyl-phthalazin-2-ium-2-yl)butyric acid Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=[N+](N=C(C3=CC=CC=C32)N)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=[N+](N=C(C3=CC=CC=C32)N)CCCC(=O)O

InChI

InChI=1S/C19H19N3O2/c20-19-16-10-5-4-9-15(16)17(13-14-7-2-1-3-8-14)22(21-19)12-6-11-18(23)24/h1-5,7-10H,6,11-13H2,(H2-,20,21,23,24)/p+1