4-(2,5-dimethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(2,5-dimethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(2,5-dimethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-oxo-butanamide CAS Name: 4-(2,5-dimethylphenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-oxobutanamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxobutanamide Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butyramide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O2/c1-16-4-5-17(2)19(14-16)20(27)7-9-22(28)24-18-6-8-21(23-15-18)26-12-10-25(3)11-13-26/h4-6,8,14-15H,7,9-13H2,1-3H3,(H,24,28)/p+1