5-methyl-3-[4-(phenylmethyl)piperazin-1-yl]pyridazino[3,4-b][1,4]benzoxazin-1-ium

Systemtic Name: 5-methyl-3-[4-(phenylmethyl)piperazin-1-yl]pyridazino[3,4-b][1,4]benzoxazin-1-ium Openeye Name: 3-(4-benzylpiperazin-1-yl)-5-methyl-pyridazino[3,4-b][1,4]benzoxazin-1-ium CAS Name: 5-methyl-3-[4-(phenylmethyl)-1-piperazinyl]pyridazino[3,4-b][1,4]benzoxazin-1-ium IUPAC Name: 3-(4-benzylpiperazin-1-yl)-5-methylpyridazino[3,4-b][1,4]benzoxazin-1-ium Traditional Name: 3-(4-benzylpiperazino)-5-methyl-pyridazino[3,4-b][1,4]benzoxazin-1-ium Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2OC3=[NH+]N=C(C=C31)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2OC3=[NH+]N=C(C=C31)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C22H23N5O/c1-25-18-9-5-6-10-20(18)28-22-19(25)15-21(23-24-22)27-13-11-26(12-14-27)16-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3/p+1