2-[2-[2-(3-azaniumylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[2-(3-azaniumylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[2-(3-azaniumylpropanoylamino)thiazol-4-yl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[2-[(3-ammonio-1-oxopropyl)amino]-4-thiazolyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[2-(3-azaniumylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[2-(3-ammoniopropanoylamino)thiazol-4-yl]phenoxy]ethyl-dimethyl-ammonium Formula: C16H24N4O2S+2 MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC=C1C2=CSC(=N2)NC(=O)CC[NH3+]

Isomeric SMILES

C[NH+](C)CCOC1=CC=CC=C1C2=CSC(=N2)NC(=O)CC[NH3+]

InChI

InChI=1S/C16H22N4O2S/c1-20(2)9-10-22-14-6-4-3-5-12(14)13-11-23-16(18-13)19-15(21)7-8-17/h3-6,11H,7-10,17H2,1-2H3,(H,18,19,21)/p+2