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

Systemtic Name: 5-phenyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-phenyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazole CAS Name: 5-phenyl-2-[[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-phenyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-phenyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazole Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-2-6-19-9-11-21(12-10-19)30(27,28)26-15-13-25(14-16-26)18-23-24-17-22(29-23)20-7-4-3-5-8-20/h3-5,7-12,17H,2,6,13-16,18H2,1H3/p+1