2,5-dibutyl-1-[(3-methyl-4-phenyl-phenyl)methyl]benzimidazol-1-ium-2-carboxamide

Systemtic Name: 2,5-dibutyl-1-[(3-methyl-4-phenyl-phenyl)methyl]benzimidazol-1-ium-2-carboxamide Openeye Name: 2,5-dibutyl-1-[(3-methyl-4-phenyl-phenyl)methyl]benzimidazol-1-ium-2-carboxamide CAS Name: 2,5-dibutyl-1-[(3-methyl-4-phenylphenyl)methyl]-2-benzimidazol-1-iumcarboxamide IUPAC Name: 2,5-dibutyl-1-[(3-methyl-4-phenylphenyl)methyl]benzimidazol-1-ium-2-carboxamide Traditional Name: 2,5-dibutyl-1-(3-methyl-4-phenyl-benzyl)benzimidazol-1-ium-2-carboxamide Formula: C30H36N3O+ MolecularWeight: 454.62634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=NC([N+](=C2C=C1)CC3=CC(=C(C=C3)C4=CC=CC=C4)C)(CCCC)C(=O)N

Isomeric SMILES

CCCCC1=CC2=NC([N+](=C2C=C1)CC3=CC(=C(C=C3)C4=CC=CC=C4)C)(CCCC)C(=O)N

InChI

InChI=1S/C30H35N3O/c1-4-6-11-23-15-17-28-27(20-23)32-30(29(31)34,18-7-5-2)33(28)21-24-14-16-26(22(3)19-24)25-12-9-8-10-13-25/h8-10,12-17,19-20H,4-7,11,18,21H2,1-3H3,(H-,31,34)/p+1