5-chloranyl-1-(phenylmethyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole CAS Name: 5-chloro-1-(phenylmethyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole Formula: C25H26ClN4+ MolecularWeight: 417.95374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H25ClN4/c26-21-11-12-24-23(17-21)27-25(30(24)18-20-7-3-1-4-8-20)19-28-13-15-29(16-14-28)22-9-5-2-6-10-22/h1-12,17H,13-16,18-19H2/p+1