N-(2,6-dimethylphenyl)-2-[4-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(4-oxo-3-propyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(4-oxo-3-propylphthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(4-keto-3-propyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C26H32N5O3+ MolecularWeight: 462.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C26H31N5O3/c1-4-12-31-25(33)21-11-6-5-10-20(21)24(28-31)26(34)30-15-13-29(14-16-30)17-22(32)27-23-18(2)8-7-9-19(23)3/h5-11H,4,12-17H2,1-3H3,(H,27,32)/p+1