4-pyridin-1-ium-1-ylbutanethioic S-acid

Systemtic Name: 4-pyridin-1-ium-1-ylbutanethioic S-acid Openeye Name: 4-pyridin-1-ium-1-ylbutanethioic S-acid CAS Name: 4-(1-pyridin-1-iumyl)butanethioic S-acid IUPAC Name: 4-pyridin-1-ium-1-ylbutanethioic S-acid Traditional Name: 4-pyridin-1-ium-1-ylthiobutyric acid Formula: C9H12NOS+ MolecularWeight: 182.26268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCC(=O)S

Isomeric SMILES

C1=CC=[N+](C=C1)CCCC(=O)S

InChI

InChI=1S/C9H11NOS/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2/p+1