[3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-yl] hydrogen sulfate

Systemtic Name: [3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-yl] hydrogen sulfate Openeye Name: [3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-yl] hydrogen sulfate CAS Name: sulfuric acid [3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-yl] ester IUPAC Name: [3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-yl] hydrogen sulfate Traditional Name: sulfuric acid [3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-yl] ester Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=CC(=C(C=C21)CN3C=NC=N3)OS(=O)(=O)O

Isomeric SMILES

CN(C)CCC1=CNC2=CC(=C(C=C21)CN3C=NC=N3)OS(=O)(=O)O

InChI

InChI=1S/C15H19N5O4S/c1-19(2)4-3-11-7-17-14-6-15(24-25(21,22)23)12(5-13(11)14)8-20-10-16-9-18-20/h5-7,9-10,17H,3-4,8H2,1-2H3,(H,21,22,23)