methyl-oxidanyl-[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]-(prop-2-enylcarbamoyl)azanium

Systemtic Name: methyl-oxidanyl-[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]-(prop-2-enylcarbamoyl)azanium Openeye Name: allylcarbamoyl-hydroxy-methyl-[3-[(2-phenylthiazol-4-yl)methoxy]phenyl]ammonium CAS Name: hydroxy-methyl-[oxo-(prop-2-enylamino)methyl]-[3-[(2-phenyl-4-thiazolyl)methoxy]phenyl]ammonium IUPAC Name: hydroxy-methyl-[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]-(prop-2-enylcarbamoyl)azanium Traditional Name: allylcarbamoyl-hydroxy-methyl-[3-[(2-phenylthiazol-4-yl)methoxy]phenyl]ammonium Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC(=CC=C1)OCC2=CSC(=N2)C3=CC=CC=C3)(C(=O)NCC=C)O

Isomeric SMILES

C[N+](C1=CC(=CC=C1)OCC2=CSC(=N2)C3=CC=CC=C3)(C(=O)NCC=C)O

InChI

InChI=1S/C21H21N3O3S/c1-3-12-22-21(25)24(2,26)18-10-7-11-19(13-18)27-14-17-15-28-20(23-17)16-8-5-4-6-9-16/h3-11,13,15,26H,1,12,14H2,2H3/p+1