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

Systemtic Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine; ethanoic acid Openeye Name: acetic acid; N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine CAS Name: acetic acid; N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine IUPAC Name: acetic acid; N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine Traditional Name: acetic acid; dimethyl-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5.C2H4O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;1-2(3)4/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1H3,(H,3,4)