ethyl 2-(3-phenyl-1-piperidin-1-ium-1-ylidene-propyl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-phenyl-1-piperidin-1-ium-1-ylidene-propyl)sulfanylethanoate Openeye Name: ethyl 2-(3-phenyl-1-piperidin-1-ium-1-ylidene-propyl)sulfanylacetate CAS Name: 2-[[3-phenyl-1-(1-piperidin-1-iumylidene)propyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-phenyl-1-piperidin-1-ium-1-ylidenepropyl)sulfanylacetate Traditional Name: 2-[(3-phenyl-1-piperidin-1-ium-1-ylidene-propyl)thio]acetic acid ethyl ester Formula: C18H26NO2S+ MolecularWeight: 320.46954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=[N+]1CCCCC1)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC(=[N+]1CCCCC1)CCC2=CC=CC=C2

InChI

InChI=1S/C18H26NO2S/c1-2-21-18(20)15-22-17(19-13-7-4-8-14-19)12-11-16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3/q+1