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

Systemtic Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-13-5-6-17(24-4)16(11-13)12-20-7-9-21(10-8-20)26(22,23)18-14(2)19-25-15(18)3/h5-6,11H,7-10,12H2,1-4H3/p+1