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

Systemtic Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine; sulfuric acid Openeye Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine; sulfuric acid CAS Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine; sulfuric acid IUPAC Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine; sulfuric acid Traditional Name: dimethyl-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]amine; sulfuric acid Formula: C30H40N10O4S MolecularWeight: 636.7682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.OS(=O)(=O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.OS(=O)(=O)O

InChI

InChI=1S/2C15H19N5.H2O4S/c2*1-19(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/h2*3-4,7-8,10-11,17H,5-6,9H2,1-2H3;(H2,1,2,3,4)