2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-6-(4-methoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C#N)NC3CCS(=O)(=O)C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C#N)N[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H17N3O3S/c1-23-15-5-2-12(3-6-15)16-7-4-13(10-18)17(20-16)19-14-8-9-24(21,22)11-14/h2-7,14H,8-9,11H2,1H3,(H,19,20)/p+1/t14-/m0/s1