N-[4-(diethylamino)-3-methyl-phenyl]-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(diethylamino)-3-methyl-phenyl]-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(diethylamino)-3-methyl-phenyl]-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-[4-(diethylamino)-3-methylphenyl]-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-[4-(diethylamino)-3-methylphenyl]-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-[4-(diethylamino)-3-methyl-phenyl]-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[NH+]2)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[NH+]2)C

InChI

InChI=1S/C18H23N3OS/c1-4-21(5-2)16-10-9-15(12-14(16)3)20-17(22)13-23-18-8-6-7-11-19-18/h6-12H,4-5,13H2,1-3H3,(H,20,22)/p+1