ethyl 2-[2-(2-piperidin-1-ium-1-ylethanoylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-piperidin-1-ium-1-ylethanoylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-piperidin-1-ium-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiazol-4-yl]acetic acid ethyl ester Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C14H21N3O3S/c1-2-20-13(19)8-11-10-21-14(15-11)16-12(18)9-17-6-4-3-5-7-17/h10H,2-9H2,1H3,(H,15,16,18)/p+1