5-morpholin-4-ylsulfonyl-N-(3-phenylsulfanylpropyl)pyridin-1-ium-2-amine

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-(3-phenylsulfanylpropyl)pyridin-1-ium-2-amine Openeye Name: 5-morpholinosulfonyl-N-(3-phenylsulfanylpropyl)pyridin-1-ium-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-[3-(phenylthio)propyl]-2-pyridin-1-iumamine IUPAC Name: 5-morpholin-4-ylsulfonyl-N-(3-phenylsulfanylpropyl)pyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-[3-(phenylthio)propyl]amine Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S2/c22-26(23,21-10-12-24-13-11-21)17-7-8-18(20-15-17)19-9-4-14-25-16-5-2-1-3-6-16/h1-3,5-8,15H,4,9-14H2,(H,19,20)/p+1