N,N-diethyl-6-[(phenylmethyl)amino]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[(phenylmethyl)amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-(benzylamino)-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[(phenylmethyl)amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(benzylamino)-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(benzylamino)-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S/c1-3-19(4-2)22(20,21)15-10-11-16(18-13-15)17-12-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,17,18)/p+1