2-methyl-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenyl-benzimidazole-5-carboxamide

Systemtic Name: 2-methyl-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenyl-benzimidazole-5-carboxamide Openeye Name: 2-methyl-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-1-phenyl-benzimidazole-5-carboxamide CAS Name: 2-methyl-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-phenyl-5-benzimidazolecarboxamide IUPAC Name: 2-methyl-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenylbenzimidazole-5-carboxamide Traditional Name: 2-methyl-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-1-phenyl-benzimidazole-5-carboxamide Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=C([NH+]=CC=C4)N5CCOCC5

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=C([NH+]=CC=C4)N5CCOCC5

InChI

InChI=1S/C25H25N5O2/c1-18-28-22-16-19(9-10-23(22)30(18)21-7-3-2-4-8-21)25(31)27-17-20-6-5-11-26-24(20)29-12-14-32-15-13-29/h2-11,16H,12-15,17H2,1H3,(H,27,31)/p+1