3,5-dimethyl-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H23N3O3S/c1-15-20(16(2)26-21-15)14-22-9-11-23(12-10-22)27(24,25)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13H,9-12,14H2,1-2H3/p+1