N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3H-phthalazine-1-carboxamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H24N4O2/c1-13-7-4-5-11-22(13)12-6-10-19-18(24)16-14-8-2-3-9-15(14)17(23)21-20-16/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,19,24)(H,21,23)/p+1/t13-/m0/s1