N-[3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C23H27N6O4+ MolecularWeight: 451.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C(=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C(=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H26N6O4/c1-13-11-18(19(30)12-28-9-7-15(8-10-28)21(24)31)14(2)29(13)27-23(33)20-16-5-3-4-6-17(16)22(32)26-25-20/h3-6,11,15H,7-10,12H2,1-2H3,(H2,24,31)(H,26,32)(H,27,33)/p+1