1-[1-[4-(4-isocyanophenyl)phenoxy]decyl]-3-methyl-imidazol-3-ium

Systemtic Name: 1-[1-[4-(4-isocyanophenyl)phenoxy]decyl]-3-methyl-imidazol-3-ium Openeye Name: 1-[1-[4-(4-isocyanophenyl)phenoxy]decyl]-3-methyl-imidazol-3-ium CAS Name: 1-[1-[4-(4-isocyanophenyl)phenoxy]decyl]-3-methylimidazol-3-ium IUPAC Name: 1-[1-[4-(4-isocyanophenyl)phenoxy]decyl]-3-methylimidazol-3-ium Traditional Name: 1-[1-[4-(4-isocyanophenyl)phenoxy]decyl]-3-methyl-imidazol-3-ium Formula: C27H34N3O+ MolecularWeight: 416.57836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(N1C=C[N+](=C1)C)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCC(N1C=C[N+](=C1)C)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C27H34N3O/c1-4-5-6-7-8-9-10-11-27(30-21-20-29(3)22-30)31-26-18-14-24(15-19-26)23-12-16-25(28-2)17-13-23/h12-22,27H,4-11H2,1,3H3/q+1