4-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium Openeye Name: 4-[[3-(5-methyl-2-thienyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium CAS Name: 4-[[3-(5-methyl-2-thiophenyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium Traditional Name: 4-[[3-(5-methyl-2-thienyl)-1H-pyrazol-5-yl]methyl]-1,4-oxazepan-4-ium Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NNC(=C2)C[NH+]3CCCOCC3

Isomeric SMILES

CC1=CC=C(S1)C2=NNC(=C2)C[NH+]3CCCOCC3

InChI

InChI=1S/C14H19N3OS/c1-11-3-4-14(19-11)13-9-12(15-16-13)10-17-5-2-7-18-8-6-17/h3-4,9H,2,5-8,10H2,1H3,(H,15,16)/p+1