6-(azepan-1-yl)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-(azepan-1-yl)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-(azepan-1-yl)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-(1-azepanyl)-N-ethyl-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(azepan-1-yl)-N-ethyl-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(azepan-1-yl)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C19H25N3O2S/c1-2-22(17-10-6-5-7-11-17)25(23,24)18-12-13-19(20-16-18)21-14-8-3-4-9-15-21/h5-7,10-13,16H,2-4,8-9,14-15H2,1H3/p+1