N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-phthalazine-1-carboxamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N5O3/c1-27-24(31)21-7-4-3-6-20(21)22(26-27)23(30)25-12-5-13-28-14-16-29(17-15-28)18-8-10-19(32-2)11-9-18/h3-4,6-11H,5,12-17H2,1-2H3,(H,25,30)/p+1