2-(2-oxidanylidene-1,3-oxazinan-3-yl)ethyl-[[5-(1-prop-2-enylpyrazol-3-yl)thiophen-2-yl]methyl]azanium

Systemtic Name: 2-(2-oxidanylidene-1,3-oxazinan-3-yl)ethyl-[[5-(1-prop-2-enylpyrazol-3-yl)thiophen-2-yl]methyl]azanium Openeye Name: [5-(1-allylpyrazol-3-yl)-2-thienyl]methyl-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]ammonium CAS Name: 2-(2-oxo-1,3-oxazinan-3-yl)ethyl-[[5-(1-prop-2-enyl-3-pyrazolyl)-2-thiophenyl]methyl]ammonium IUPAC Name: 2-(2-oxo-1,3-oxazinan-3-yl)ethyl-[[5-(1-prop-2-enylpyrazol-3-yl)thiophen-2-yl]methyl]azanium Traditional Name: [5-(1-allylpyrazol-3-yl)-2-thienyl]methyl-[2-(2-keto-1,3-oxazinan-3-yl)ethyl]ammonium Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC(=N1)C2=CC=C(S2)C[NH2+]CCN3CCCOC3=O

Isomeric SMILES

C=CCN1C=CC(=N1)C2=CC=C(S2)C[NH2+]CCN3CCCOC3=O

InChI

InChI=1S/C17H22N4O2S/c1-2-8-21-10-6-15(19-21)16-5-4-14(24-16)13-18-7-11-20-9-3-12-23-17(20)22/h2,4-6,10,18H,1,3,7-9,11-13H2/p+1