(1Z,3E)-4-(1-methyl-1-oxidanidyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)penta-1,3-diene-1-thiol

Systemtic Name: (1Z,3E)-4-(1-methyl-1-oxidanidyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)penta-1,3-diene-1-thiol Openeye Name: (1Z,3E)-4-(1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl)penta-1,3-diene-1-thiol CAS Name: (1Z,3E)-4-(1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl)-1-penta-1,3-dienethiol IUPAC Name: (1Z,3E)-4-(1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl)penta-1,3-diene-1-thiol Traditional Name: (1Z,3E)-4-(1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl)penta-1,3-diene-1-thiol Formula: C11H17NOS MolecularWeight: 211.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CS)C1=CC[N+](CC1)(C)[O-]

Isomeric SMILES

C/C(=C\C=C/S)/C1=CC[N+](CC1)(C)[O-]

InChI

InChI=1S/C11H17NOS/c1-10(4-3-9-14)11-5-7-12(2,13)8-6-11/h3-5,9,14H,6-8H2,1-2H3/b9-3-,10-4+