[2-(diethylamino)pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium

Systemtic Name: [2-(diethylamino)pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium Openeye Name: [2-(diethylamino)pyridin-1-ium-3-yl]methyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: [2-(diethylamino)-3-pyridin-1-iumyl]methyl-(4-thianyl)ammonium IUPAC Name: [2-(diethylamino)pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium Traditional Name: [2-(diethylamino)pyridin-1-ium-3-yl]methyl-tetrahydrothiopyran-4-yl-ammonium Formula: C15H27N3S+2 MolecularWeight: 281.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)C[NH2+]C2CCSCC2

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)C[NH2+]C2CCSCC2

InChI

InChI=1S/C15H25N3S/c1-3-18(4-2)15-13(6-5-9-16-15)12-17-14-7-10-19-11-8-14/h5-6,9,14,17H,3-4,7-8,10-12H2,1-2H3/p+2