4-[6-[4-(4-methylphthalazin-2-ium-1-yl)piperazin-1-yl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-(4-methylphthalazin-2-ium-1-yl)piperazin-1-yl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[4-(4-methylphthalazin-2-ium-1-yl)piperazin-1-yl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[4-(4-methyl-1-phthalazin-2-iumyl)-1-piperazinyl]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-(4-methylphthalazin-2-ium-1-yl)piperazin-1-yl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[4-(4-methylphthalazin-2-ium-1-yl)piperazino]-3-pyridyl]sulfonyl]morpholine Formula: C22H27N6O3S+ MolecularWeight: 455.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)N3CCN(CC3)C4=NC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)N3CCN(CC3)C4=NC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H26N6O3S/c1-17-19-4-2-3-5-20(19)22(25-24-17)27-10-8-26(9-11-27)21-7-6-18(16-23-21)32(29,30)28-12-14-31-15-13-28/h2-7,16H,8-15H2,1H3/p+1