5-methyl-3-(4-methylpiperazin-4-ium-1-yl)pyridazino[3,4-b][1,4]benzoxazine

Systemtic Name: 5-methyl-3-(4-methylpiperazin-4-ium-1-yl)pyridazino[3,4-b][1,4]benzoxazine Openeye Name: 5-methyl-3-(4-methylpiperazin-4-ium-1-yl)pyridazino[3,4-b][1,4]benzoxazine CAS Name: 5-methyl-3-(4-methyl-1-piperazin-4-iumyl)pyridazino[3,4-b][1,4]benzoxazine IUPAC Name: 5-methyl-3-(4-methylpiperazin-4-ium-1-yl)pyridazino[3,4-b][1,4]benzoxazine Traditional Name: 5-methyl-3-(4-methylpiperazin-4-ium-1-yl)pyridazino[3,4-b][1,4]benzoxazine Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C

InChI

InChI=1S/C16H19N5O/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2/h3-6,11H,7-10H2,1-2H3/p+1