4-(1-hexylimidazol-4-yl)-1-methyl-1-[(4-phenylphenyl)methyl]-2-propyl-benzimidazol-1-ium

Systemtic Name: 4-(1-hexylimidazol-4-yl)-1-methyl-1-[(4-phenylphenyl)methyl]-2-propyl-benzimidazol-1-ium Openeye Name: 4-(1-hexylimidazol-4-yl)-1-methyl-1-[(4-phenylphenyl)methyl]-2-propyl-benzimidazol-1-ium CAS Name: 4-(1-hexyl-4-imidazolyl)-1-methyl-1-[(4-phenylphenyl)methyl]-2-propylbenzimidazol-1-ium IUPAC Name: 4-(1-hexylimidazol-4-yl)-1-methyl-1-[(4-phenylphenyl)methyl]-2-propylbenzimidazol-1-ium Traditional Name: 4-(1-hexylimidazol-4-yl)-1-methyl-1-(4-phenylbenzyl)-2-propyl-benzimidazol-1-ium Formula: C33H39N4+ MolecularWeight: 491.68956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(N=C1)C2=C3C(=CC=C2)[N+](C(=N3)CCC)(C)CC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCN1C=C(N=C1)C2=C3C(=CC=C2)[N+](C(=N3)CCC)(C)CC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H39N4/c1-4-6-7-11-22-36-23-30(34-25-36)29-16-12-17-31-33(29)35-32(13-5-2)37(31,3)24-26-18-20-28(21-19-26)27-14-9-8-10-15-27/h8-10,12,14-21,23,25H,4-7,11,13,22,24H2,1-3H3/q+1