2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H23N3O4S/c1-2-26-16-7-9-17(10-8-16)28(24,25)23-13-11-22(12-14-23)15-20-21-18-5-3-4-6-19(18)27-20/h3-10H,2,11-15H2,1H3/p+1