2-[6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[6-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazole Formula: C24H27N5O+2 MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=[NH+]C=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=[NH+]C=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H25N5O/c1-2-6-20(7-3-1)30-17-16-28-12-14-29(15-13-28)23-11-10-19(18-25-23)24-26-21-8-4-5-9-22(21)27-24/h1-11,18H,12-17H2,(H,26,27)/p+2