6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]pyridin-1-ium-3-sulfonamide Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H21N3O4S/c1-3-23-15-7-12-6-11(2)24-16(12)8-13(15)9-19-17-5-4-14(10-20-17)25(18,21)22/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,19,20)(H2,18,21,22)/p+1/t11-/m0/s1