1-[3-(3-methylimidazol-3-ium-1-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol

Systemtic Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol Openeye Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol CAS Name: 1-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-5-[(1-methyl-3-pyridin-1-iumyl)methyl]-4-indolol IUPAC Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol Traditional Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol Formula: C22H26N4O+2 MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCN2C=CC3=C2C=CC(=C3O)CC4=C[N+](=CC=C4)C

Isomeric SMILES

C[N+]1=CN(C=C1)CCCN2C=CC3=C2C=CC(=C3O)CC4=C[N+](=CC=C4)C

InChI

InChI=1S/C22H25N4O/c1-23-9-3-5-18(16-23)15-19-6-7-21-20(22(19)27)8-12-26(21)11-4-10-25-14-13-24(2)17-25/h3,5-9,12-14,16-17H,4,10-11,15H2,1-2H3/q+1/p+1