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

Systemtic Name: 6-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(2R)-2-p-phenetylpyrrolidino]pyridin-1-ium-3-sulfonamide Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H21N3O3S/c1-2-23-14-7-5-13(6-8-14)16-4-3-11-20(16)17-10-9-15(12-19-17)24(18,21)22/h5-10,12,16H,2-4,11H2,1H3,(H2,18,21,22)/p+1/t16-/m1/s1