tert-butyl 2-[4-[methyl-(4-oxidanidyl-5,6-diphenyl-pyrazin-4-ium-2-yl)amino]butoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[methyl-(4-oxidanidyl-5,6-diphenyl-pyrazin-4-ium-2-yl)amino]butoxy]ethanoate Openeye Name: tert-butyl 2-[4-[methyl-(4-oxido-5,6-diphenyl-pyrazin-4-ium-2-yl)amino]butoxy]acetate CAS Name: 2-[4-[methyl-(4-oxido-5,6-diphenyl-2-pyrazin-4-iumyl)amino]butoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[methyl-(4-oxido-5,6-diphenylpyrazin-4-ium-2-yl)amino]butoxy]acetate Traditional Name: 2-[4-[methyl-(4-oxido-5,6-diphenyl-pyrazin-4-ium-2-yl)amino]butoxy]acetic acid tert-butyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COCCCCN(C)C1=C[N+](=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)COCCCCN(C)C1=C[N+](=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C27H33N3O4/c1-27(2,3)34-24(31)20-33-18-12-11-17-29(4)23-19-30(32)26(22-15-9-6-10-16-22)25(28-23)21-13-7-5-8-14-21/h5-10,13-16,19H,11-12,17-18,20H2,1-4H3