N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C25H29N6O3+ MolecularWeight: 461.53616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

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