N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinoline-8-sulfonamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinoline-8-sulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinoline-8-sulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-8-quinolinesulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]quinoline-8-sulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinoline-8-sulfonamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C22H25N3O3S/c1-28-19-11-9-17(10-12-19)20(25-14-2-3-15-25)16-24-29(26,27)21-8-4-6-18-7-5-13-23-22(18)21/h4-13,20,24H,2-3,14-16H2,1H3/p+1/t20-/m0/s1