N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine sulfate

Systemtic Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine sulfate Openeye Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine sulfate CAS Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine sulfate IUPAC Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine sulfate Traditional Name: dimethyl-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]amine sulfate Formula: C15H19N5O4S-2 MolecularWeight: 365.40746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H19N5.H2O4S/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;1-5(2,3)4/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;(H2,1,2,3,4)/p-2