2-[4-[methyl-(4-oxidanidyl-5,6-diphenyl-pyrazin-4-ium-2-yl)amino]butoxy]ethanoic acid

Systemtic Name: 2-[4-[methyl-(4-oxidanidyl-5,6-diphenyl-pyrazin-4-ium-2-yl)amino]butoxy]ethanoic acid Openeye Name: 2-[4-[methyl-(4-oxido-5,6-diphenyl-pyrazin-4-ium-2-yl)amino]butoxy]acetic acid CAS Name: 2-[4-[methyl-(4-oxido-5,6-diphenyl-2-pyrazin-4-iumyl)amino]butoxy]acetic acid IUPAC Name: 2-[4-[methyl-(4-oxido-5,6-diphenylpyrazin-4-ium-2-yl)amino]butoxy]acetic acid Traditional Name: 2-[4-[methyl-(4-oxido-5,6-diphenyl-pyrazin-4-ium-2-yl)amino]butoxy]acetic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCOCC(=O)O)C1=C[N+](=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CN(CCCCOCC(=O)O)C1=C[N+](=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C23H25N3O4/c1-25(14-8-9-15-30-17-21(27)28)20-16-26(29)23(19-12-6-3-7-13-19)22(24-20)18-10-4-2-5-11-18/h2-7,10-13,16H,8-9,14-15,17H2,1H3,(H,27,28)