3-[2-butyl-1-(butylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-1-(butylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-(butylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[[butylamino(oxo)methyl]amino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-(butylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-1-(butylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C30H35N4O3+ MolecularWeight: 499.6239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O3/c1-4-6-17-27-32-24-15-11-12-16-26(24)34(27,33-30(37)31-20-7-5-2)25-19-18-23(22-13-9-8-10-14-22)28(21(25)3)29(35)36/h8-16,18-19H,4-7,17,20H2,1-3H3,(H2-,31,33,35,36,37)/p+1