4-[2-[5-[2-ethyl-4-methyl-1-[[2-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium-1-yl]imidazol-1-yl]ethyl]morpholine hydrate

Systemtic Name: 4-[2-[5-[2-ethyl-4-methyl-1-[[2-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium-1-yl]imidazol-1-yl]ethyl]morpholine hydrate Openeye Name: 4-[2-[5-[2-ethyl-4-methyl-1-[[2-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium-1-yl]imidazol-1-yl]ethyl]morpholine hydrate CAS Name: 4-[2-[5-[2-ethyl-4-methyl-1-[[2-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1-benzimidazol-1-iumyl]-1-imidazolyl]ethyl]morpholine hydrate IUPAC Name: 4-[2-[5-[2-ethyl-4-methyl-1-[[2-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium-1-yl]imidazol-1-yl]ethyl]morpholine hydrate Traditional Name: 4-[2-[5-[2-ethyl-4-methyl-1-[2-phenyl-3-(2H-tetrazol-5-yl)benzyl]benzimidazol-1-ium-1-yl]imidazol-1-yl]ethyl]morpholine hydrate Formula: C33H38N9O2+ MolecularWeight: 592.71392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC=C2[N+]1(CC3=CC=CC(=C3C4=CC=CC=C4)C5=NNN=N5)C6=CN=CN6CCN7CCOCC7)C.O

Isomeric SMILES

CCC1=NC2=C(C=CC=C2[N+]1(CC3=CC=CC(=C3C4=CC=CC=C4)C5=NNN=N5)C6=CN=CN6CCN7CCOCC7)C.O

InChI

InChI=1S/C33H36N9O.H2O/c1-3-29-35-32-24(2)9-7-14-28(32)42(29,30-21-34-23-41(30)16-15-40-17-19-43-20-18-40)22-26-12-8-13-27(33-36-38-39-37-33)31(26)25-10-5-4-6-11-25;/h4-14,21,23H,3,15-20,22H2,1-2H3,(H,36,37,38,39);1H2/q+1;