2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Openeye Name: 2-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-5-phenyl-oxazole CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-phenyloxazole IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Traditional Name: 2-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-5-phenyl-oxazole Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NC=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NC=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N3O3S/c27-30(28,21-10-9-18-7-4-8-20(18)15-21)26-13-11-25(12-14-26)17-23-24-16-22(29-23)19-5-2-1-3-6-19/h1-3,5-6,9-10,15-16H,4,7-8,11-14,17H2/p+1