3-[[4-cyano-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-cyano-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-cyano-2-[(E)-2-(2-thienyl)vinyl]oxazol-5-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-cyano-2-[(E)-2-thiophen-2-ylethenyl]-5-oxazolyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-cyano-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]amino]propyl-diethylazanium Traditional Name: 3-[[4-cyano-2-[(E)-2-(2-thienyl)vinyl]oxazol-5-yl]amino]propyl-diethyl-ammonium Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=C(N=C(O1)C=CC2=CC=CS2)C#N

Isomeric SMILES

CC[NH+](CC)CCCNC1=C(N=C(O1)/C=C/C2=CC=CS2)C#N

InChI

InChI=1S/C17H22N4OS/c1-3-21(4-2)11-6-10-19-17-15(13-18)20-16(22-17)9-8-14-7-5-12-23-14/h5,7-9,12,19H,3-4,6,10-11H2,1-2H3/p+1/b9-8+