(E)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-1-(4-propylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-1-(4-propylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-2-(5-methyltetrazol-1-yl)-3-phenyl-1-(4-propylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-2-(5-methyl-1-tetrazolyl)-3-phenyl-1-(4-propyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-2-(5-methyltetrazol-1-yl)-3-phenyl-1-(4-propylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-2-(5-methyltetrazol-1-yl)-3-phenyl-1-(4-propylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C18H25N6O+ MolecularWeight: 341.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C(=CC2=CC=CC=C2)N3C(=NN=N3)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/N3C(=NN=N3)C

InChI

InChI=1S/C18H24N6O/c1-3-9-22-10-12-23(13-11-22)18(25)17(24-15(2)19-20-21-24)14-16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3/p+1/b17-14+