2-[2-[(1S)-1-(azepan-1-ium-1-yl)ethyl]-1,3-thiazol-4-yl]ethylazanium

Systemtic Name: 2-[2-[(1S)-1-(azepan-1-ium-1-yl)ethyl]-1,3-thiazol-4-yl]ethylazanium Openeye Name: 2-[2-[(1S)-1-(azepan-1-ium-1-yl)ethyl]thiazol-4-yl]ethylammonium CAS Name: 2-[2-[(1S)-1-(1-azepan-1-iumyl)ethyl]-4-thiazolyl]ethylammonium IUPAC Name: 2-[2-[(1S)-1-(azepan-1-ium-1-yl)ethyl]-1,3-thiazol-4-yl]ethylazanium Traditional Name: 2-[2-[(1S)-1-(azepan-1-ium-1-yl)ethyl]thiazol-4-yl]ethylammonium Formula: C13H25N3S+2 MolecularWeight: 255.4227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)CC[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

C[C@@H](C1=NC(=CS1)CC[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C13H23N3S/c1-11(16-8-4-2-3-5-9-16)13-15-12(6-7-14)10-17-13/h10-11H,2-9,14H2,1H3/p+2/t11-/m0/s1