3-[[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole

Systemtic Name: 3-[[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole Formula: C17H24N3O4S+ MolecularWeight: 366.45516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C17H23N3O4S/c1-13-4-5-16(23-3)17(10-13)25(21,22)20-8-6-19(7-9-20)12-15-11-14(2)24-18-15/h4-5,10-11H,6-9,12H2,1-3H3/p+1