2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]ethanamide

Systemtic Name: 2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]ethanamide Openeye Name: 2-(4-methyl-1-oxo-phthalazin-2-yl)-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]acetamide CAS Name: 2-(4-methyl-1-oxo-2-phthalazinyl)-N-[1-methyl-2-(1-piperidin-1-iumylmethyl)-5-benzimidazolyl]acetamide IUPAC Name: 2-(4-methyl-1-oxophthalazin-2-yl)-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]acetamide Traditional Name: 2-(1-keto-4-methyl-phthalazin-2-yl)-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]acetamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)C[NH+]5CCCCC5)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)C[NH+]5CCCCC5)C

InChI

InChI=1S/C25H28N6O2/c1-17-19-8-4-5-9-20(19)25(33)31(28-17)16-24(32)26-18-10-11-22-21(14-18)27-23(29(22)2)15-30-12-6-3-7-13-30/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,26,32)/p+1