2-[6-chloranyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-1-yl]ethanol

Systemtic Name: 2-[6-chloranyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-1-yl]ethanol Openeye Name: 2-[2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-6-chloro-benzimidazol-1-yl]ethanol CAS Name: 2-[6-chloro-2-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzimidazolyl]ethanol IUPAC Name: 2-[2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-6-chlorobenzimidazol-1-yl]ethanol Traditional Name: 2-[2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-6-chloro-benzimidazol-1-yl]ethanol Formula: C21H26ClN4O3S+ MolecularWeight: 449.97414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(N2CCO)C=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(N2CCO)C=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H25ClN4O3S/c22-18-6-7-19-20(14-18)26(12-13-27)21(23-19)15-24-8-10-25(11-9-24)30(28,29)16-17-4-2-1-3-5-17/h1-7,14,27H,8-13,15-16H2/p+1