1-[(3-ethoxy-1H-1,2,4-triazol-5-yl)methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[(3-ethoxy-1H-1,2,4-triazol-5-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(3-ethoxy-1H-1,2,4-triazol-5-yl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(3-ethoxy-1H-1,2,4-triazol-5-yl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(3-ethoxy-1H-1,2,4-triazol-5-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(3-ethoxy-1H-1,2,4-triazol-5-yl)methyl]-4-phenyl-piperazin-1-ium Formula: C15H22N5O+ MolecularWeight: 288.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NNC(=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=NNC(=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C15H21N5O/c1-2-21-15-16-14(17-18-15)12-19-8-10-20(11-9-19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,16,17,18)/p+1