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

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]ethylazanium Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]thiazol-2-yl]ethylammonium CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-2-thiazolyl]ethylammonium IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]ethylazanium Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]thiazol-2-yl]ethylammonium Formula: C13H22N3OS+ MolecularWeight: 268.39828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=CSC(=N2)CC[NH3+]

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=CSC(=N2)CC[NH3+]

InChI

InChI=1S/C13H21N3OS/c14-6-5-12-15-11(10-18-12)9-13(17)16-7-3-1-2-4-8-16/h10H,1-9,14H2/p+1