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

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-(4-p-anisylpiperazin-4-ium-1-yl)sulfonyl-isoxazole Formula: C17H24N3O4S+ MolecularWeight: 366.45516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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