1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c25-27(26,15-10-18-6-2-1-3-7-18)24-13-11-22(12-14-24)17-23-16-21-19-8-4-5-9-20(19)23/h1-10,15-16H,11-14,17H2/p+1/b15-10+