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

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C19H22N3O4S+ MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O4S/c1-25-15-6-8-16(9-7-15)27(23,24)22-12-10-21(11-13-22)14-19-20-17-4-2-3-5-18(17)26-19/h2-9H,10-14H2,1H3/p+1