2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ethanamide Openeye Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]acetamide IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H28N4O2/c1-15-8-5-6-12-24(15)13-7-11-21-19(25)14-18-16-9-3-4-10-17(16)20(26)23(2)22-18/h3-4,9-10,15H,5-8,11-14H2,1-2H3,(H,21,25)/p+1/t15-/m0/s1