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

Systemtic Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide Openeye Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide CAS Name: N-[1-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolyl]-2-(4-methyl-1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide Traditional Name: 2-(1-keto-4-methyl-phthalazin-2-yl)-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]acetamide Formula: C25H29N6O3+ MolecularWeight: 461.53616

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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)CC[NH+]5CCOCC5)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)CC[NH+]5CCOCC5)C

InChI

InChI=1S/C25H28N6O3/c1-17-19-5-3-4-6-20(19)25(33)31(28-17)16-24(32)26-18-7-8-22-21(15-18)27-23(29(22)2)9-10-30-11-13-34-14-12-30/h3-8,15H,9-14,16H2,1-2H3,(H,26,32)/p+1