1-(azocan-1-ium-1-ylmethyl)-5-morpholin-4-ylsulfonyl-pyridine-2-thione

Systemtic Name: 1-(azocan-1-ium-1-ylmethyl)-5-morpholin-4-ylsulfonyl-pyridine-2-thione Openeye Name: 1-(azocan-1-ium-1-ylmethyl)-5-morpholinosulfonyl-pyridine-2-thione CAS Name: 1-(1-azocan-1-iumylmethyl)-5-(4-morpholinylsulfonyl)-2-pyridinethione IUPAC Name: 1-(azocan-1-ium-1-ylmethyl)-5-morpholin-4-ylsulfonylpyridine-2-thione Traditional Name: 1-(azocan-1-ium-1-ylmethyl)-5-morpholinosulfonyl-pyridine-2-thione Formula: C17H28N3O3S2+ MolecularWeight: 386.55252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC[NH+](CCC1)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H27N3O3S2/c21-25(22,20-10-12-23-13-11-20)16-6-7-17(24)19(14-16)15-18-8-4-2-1-3-5-9-18/h6-7,14H,1-5,8-13,15H2/p+1