6-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidino]pyridin-1-ium-3-sulfonamide Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C3=[NH+]C=C(C=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2C3=[NH+]C=C(C=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C17H21N3O4S/c1-23-12-5-7-14(16(10-12)24-2)15-4-3-9-20(15)17-8-6-13(11-19-17)25(18,21)22/h5-8,10-11,15H,3-4,9H2,1-2H3,(H2,18,21,22)/p+1/t15-/m1/s1