3,5-dimethyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-isoxazole Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H23N3O3S/c1-14-17(15(2)23-18-14)24(21,22)20-12-10-19(11-13-20)9-8-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3/p+1