2-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[2-amino-3-(4-tert-butylbenzyl)benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone Formula: C32H32N3O+ MolecularWeight: 474.61598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C32H31N3O/c1-32(2,3)27-19-13-23(14-20-27)21-34-28-11-7-8-12-29(28)35(31(34)33)22-30(36)26-17-15-25(16-18-26)24-9-5-4-6-10-24/h4-20,33H,21-22H2,1-3H3/p+1