(2R)-3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2R)-3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-3-(4-ethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-3-(4-ethylphenyl)-3-keto-N-(2-morpholin-4-ium-4-ylethyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(=NCC[NH+]2CCOCC2)[S-])[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C(=NCC[NH+]2CCOCC2)[S-])[N+]3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-18-6-8-19(9-7-18)21(26)20(25-11-4-3-5-12-25)22(28)23-10-13-24-14-16-27-17-15-24/h3-9,11-12,20H,2,10,13-17H2,1H3/p+1/t20-/m1/s1