1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazin-1-ium CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyl-5-tetrazolyl)piperazin-1-ium IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Formula: C19H22FN6O+ MolecularWeight: 369.415983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)F

InChI

InChI=1S/C19H21FN6O/c1-27-18-8-7-15(13-17(18)20)14-24-9-11-25(12-10-24)19-21-22-23-26(19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1