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

Systemtic Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S/c24-27(25,15-10-17-6-2-1-3-7-17)23-13-11-22(12-14-23)16-20-21-18-8-4-5-9-19(18)26-20/h1-10,15H,11-14,16H2/p+1/b15-10+