1-(4-imidazol-1-yl-6-phenyl-octan-2-yl)-3-(phenylmethyl)imidazol-3-ium

Systemtic Name: 1-(4-imidazol-1-yl-6-phenyl-octan-2-yl)-3-(phenylmethyl)imidazol-3-ium Openeye Name: 1-benzyl-3-(3-imidazol-1-yl-1-methyl-5-phenyl-heptyl)imidazol-1-ium CAS Name: 1-[4-(1-imidazolyl)-6-phenyloctan-2-yl]-3-(phenylmethyl)imidazol-3-ium IUPAC Name: 1-benzyl-3-(4-imidazol-1-yl-6-phenyloctan-2-yl)imidazol-1-ium Traditional Name: 1-benzyl-3-(3-imidazol-1-yl-1-methyl-5-phenyl-heptyl)imidazol-1-ium Formula: C27H33N4+ MolecularWeight: 413.57772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)N1C=C[N+](=C1)CC2=CC=CC=C2)N3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(CC(CC(C)N1C=C[N+](=C1)CC2=CC=CC=C2)N3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N4/c1-3-25(26-12-8-5-9-13-26)19-27(30-15-14-28-21-30)18-23(2)31-17-16-29(22-31)20-24-10-6-4-7-11-24/h4-17,21-23,25,27H,3,18-20H2,1-2H3/q+1