2-[4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanol Formula: C21H27ClN4O+2 MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C21H25ClN4O/c22-18-6-7-20-19(14-18)23-21(26(20)15-17-4-2-1-3-5-17)16-25-10-8-24(9-11-25)12-13-27/h1-7,14,27H,8-13,15-16H2/p+2