2-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide Openeye Name: 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide CAS Name: 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]benzenesulfonamide Traditional Name: 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide Formula: C20H26ClN2O3S+ MolecularWeight: 409.95004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2Cl)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNS(=O)(=O)C2=CC=CC=C2Cl)[NH+]3CCCCC3

InChI

InChI=1S/C20H25ClN2O3S/c1-26-17-11-9-16(10-12-17)19(23-13-5-2-6-14-23)15-22-27(24,25)20-8-4-3-7-18(20)21/h3-4,7-12,19,22H,2,5-6,13-15H2,1H3/p+1/t19-/m0/s1