N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-5-propan-2-yl-4-isoxazolyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(ON=C3C)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(ON=C3C)C(C)C

InChI

InChI=1S/C22H30N4O3/c1-14(2)21-19(17(5)24-29-21)22(28)26-11-9-25(10-12-26)13-18(27)23-20-15(3)7-6-8-16(20)4/h6-8,14H,9-13H2,1-5H3,(H,23,27)/p+1