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

Systemtic Name: 2-[4-[[1-methyl-4-(morpholin-4-ylcarbonylamino)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-methyl-4-(morpholine-4-carbonylamino)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-4-[[4-morpholinyl(oxo)methyl]amino]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-methyl-4-(morpholine-4-carbonylamino)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-methyl-4-(morpholine-4-carbonylamino)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C30H33N4O4+ MolecularWeight: 513.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)N5CCOCC5

Isomeric SMILES

CCCC1=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/C30H32N4O4/c1-3-7-27-32-28-25(31-30(37)33-16-18-38-19-17-33)10-6-11-26(28)34(27,2)20-21-12-14-22(15-13-21)23-8-4-5-9-24(23)29(35)36/h4-6,8-15H,3,7,16-20H2,1-2H3,(H-,31,35,36,37)/p+1