3-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]-1H-benzimidazol-3-ium

Systemtic Name: 3-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]-1H-benzimidazol-3-ium Openeye Name: 3-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]-1H-benzimidazol-3-ium CAS Name: 3-[3-(2,3,4-trimethoxy-1-cyclohexa-1,3-dienyl)propyl]-1H-benzimidazol-3-ium IUPAC Name: 3-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]-1H-benzimidazol-3-ium Traditional Name: 3-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]-1H-benzimidazol-3-ium Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(CC1)CCC[N+]2=CNC3=CC=CC=C32)OC)OC

Isomeric SMILES

COC1=C(C(=C(CC1)CCC[N+]2=CNC3=CC=CC=C32)OC)OC

InChI

InChI=1S/C19H24N2O3/c1-22-17-11-10-14(18(23-2)19(17)24-3)7-6-12-21-13-20-15-8-4-5-9-16(15)21/h4-5,8-9,13H,6-7,10-12H2,1-3H3/p+1