2-[6-chloranyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazol-1-yl]ethanol

Systemtic Name: 2-[6-chloranyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazol-1-yl]ethanol Openeye Name: 2-[6-chloro-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazol-1-yl]ethanol CAS Name: 2-[6-chloro-2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1-benzimidazolyl]ethanol IUPAC Name: 2-[6-chloro-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazol-1-yl]ethanol Traditional Name: 2-[6-chloro-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazol-1-yl]ethanol Formula: C24H26ClN4O3S+ MolecularWeight: 486.00624

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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)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(N2CCO)C=C(C=C3)Cl)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H25ClN4O3S/c25-20-6-8-22-23(16-20)29(13-14-30)24(26-22)17-27-9-11-28(12-10-27)33(31,32)21-7-5-18-3-1-2-4-19(18)15-21/h1-8,15-16,30H,9-14,17H2/p+1