1,3-bis[2-oxidanyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]benzimidazol-2-one

Systemtic Name: 1,3-bis[2-oxidanyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]benzimidazol-2-one Openeye Name: 1,3-bis[3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxy-propyl]benzimidazol-2-one CAS Name: 1,3-bis[2-hydroxy-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-2-benzimidazolone IUPAC Name: 1,3-bis[3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxypropyl]benzimidazol-2-one Traditional Name: 1,3-bis[3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxy-propyl]benzimidazol-2-one Formula: C35H50N6O3+4 MolecularWeight: 602.8099

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4N(C3=O)CC(C[NH+]5CC[NH+](CC5)CC6=CC=CC=C6)O)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4N(C3=O)CC(C[NH+]5CC[NH+](CC5)CC6=CC=CC=C6)O)O

InChI

InChI=1S/C35H46N6O3/c42-31(25-38-19-15-36(16-20-38)23-29-9-3-1-4-10-29)27-40-33-13-7-8-14-34(33)41(35(40)44)28-32(43)26-39-21-17-37(18-22-39)24-30-11-5-2-6-12-30/h1-14,31-32,42-43H,15-28H2/p+4