1-chloranylisoquinoline; 1-sulfonylpiperidin-1-ium-3-ol

Systemtic Name: 1-chloranylisoquinoline; 1-sulfonylpiperidin-1-ium-3-ol Openeye Name: 1-chloroisoquinoline; 1-sulfonylpiperidin-1-ium-3-ol CAS Name: 1-chloroisoquinoline; 1-sulfonyl-3-piperidin-1-iumol IUPAC Name: 1-chloroisoquinoline; 1-sulfonylpiperidin-1-ium-3-ol Traditional Name: 1-chloroisoquinoline; 1-sulfonylpiperidin-1-ium-3-ol Formula: C14H16ClN2O3S+ MolecularWeight: 327.80644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](=S(=O)=O)C1)O.C1=CC=C2C(=C1)C=CN=C2Cl

Isomeric SMILES

C1CC(C[N+](=S(=O)=O)C1)O.C1=CC=C2C(=C1)C=CN=C2Cl

InChI

InChI=1S/C9H6ClN.C5H10NO3S/c10-9-8-4-2-1-3-7(8)5-6-11-9;7-5-2-1-3-6(4-5)10(8)9/h1-6H;5,7H,1-4H2/q;+1