3,5-dimethyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C19H27N3O3S/c1-14(2)18-7-5-17(6-8-18)13-21-9-11-22(12-10-21)26(23,24)19-15(3)20-25-16(19)4/h5-8,14H,9-13H2,1-4H3/p+1