1,3-benzodioxol-5-yl-[4-(4-methylphthalazin-2-ium-1-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(4-methylphthalazin-2-ium-1-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(4-methylphthalazin-2-ium-1-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-1-phthalazin-2-iumyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(4-methylphthalazin-2-ium-1-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-methylphthalazin-2-ium-1-yl)piperazino]methanone Formula: C21H21N4O3+ MolecularWeight: 377.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N4O3/c1-14-16-4-2-3-5-17(16)20(23-22-14)24-8-10-25(11-9-24)21(26)15-6-7-18-19(12-15)28-13-27-18/h2-7,12H,8-11,13H2,1H3/p+1