2-[4-[[2-butyl-1-methyl-4-(morpholin-4-ylcarbonylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-1-methyl-4-(morpholin-4-ylcarbonylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-methyl-4-(morpholine-4-carbonylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-methyl-4-[[4-morpholinyl(oxo)methyl]amino]-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-methyl-4-(morpholine-4-carbonylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-methyl-4-(morpholine-4-carbonylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C31H35N4O4+ MolecularWeight: 527.634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)N5CCOCC5

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)N5CCOCC5

InChI

InChI=1S/C31H34N4O4/c1-3-4-12-28-33-29-26(32-31(38)34-17-19-39-20-18-34)10-7-11-27(29)35(28,2)21-22-13-15-23(16-14-22)24-8-5-6-9-25(24)30(36)37/h5-11,13-16H,3-4,12,17-21H2,1-2H3,(H-,32,36,37,38)/p+1