[(1S)-2-(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-(4,5-dihydrothiazol-3-ium-2-ylamino)-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-(4,5-dihydrothiazol-3-ium-2-ylamino)-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)-1-phenylethyl]-diethylazanium Traditional Name: diethyl-[(1S)-1-phenyl-2-(2-thiazolin-3-ium-2-ylamino)ethyl]ammonium Formula: C15H25N3S+2 MolecularWeight: 279.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC1=[NH+]CCS1)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC1=[NH+]CCS1)C2=CC=CC=C2

InChI

InChI=1S/C15H23N3S/c1-3-18(4-2)14(13-8-6-5-7-9-13)12-17-15-16-10-11-19-15/h5-9,14H,3-4,10-12H2,1-2H3,(H,16,17)/p+2/t14-/m1/s1