1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-5-(phenylmethyl)indol-4-ol; methyl sulfate

Systemtic Name: 1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-5-(phenylmethyl)indol-4-ol; methyl sulfate Openeye Name: 5-benzyl-1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]indol-4-ol; methyl sulfate CAS Name: 1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-5-(phenylmethyl)-4-indolol; methyl sulfate IUPAC Name: 5-benzyl-1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]indol-4-ol; methyl sulfate Traditional Name: 5-benzyl-1-[3-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]indol-4-ol; methyl sulfate Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CCCN2C=CC3=C2C=CC(=C3O)CC4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(NC=C1)CCCN2C=CC3=C2C=CC(=C3O)CC4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H23N3O.CH4O4S/c1-24-15-12-23-21(24)8-5-13-25-14-11-19-20(25)10-9-18(22(19)26)16-17-6-3-2-4-7-17;1-5-6(2,3)4/h2-4,6-7,9-12,14-15,26H,5,8,13,16H2,1H3;1H3,(H,2,3,4)