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

Systemtic Name: 2-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[2-amino-3-(4-tert-butylbenzyl)benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone Formula: C26H27N4O3+ MolecularWeight: 443.51758

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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)[N+](=O)[O-])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)[N+](=O)[O-])N

InChI

InChI=1S/C26H26N4O3/c1-26(2,3)20-12-8-18(9-13-20)16-28-22-6-4-5-7-23(22)29(25(28)27)17-24(31)19-10-14-21(15-11-19)30(32)33/h4-15,27H,16-17H2,1-3H3/p+1