N-cyclopropyl-N-[[3-[[(3S)-1-methylpiperidin-1-ium-3-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide

Systemtic Name: N-cyclopropyl-N-[[3-[[(3S)-1-methylpiperidin-1-ium-3-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide Openeye Name: N-cyclopropyl-N-[[3-[[(3S)-1-methylpiperidin-1-ium-3-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide CAS Name: N-cyclopropyl-N-[[3-[[(3S)-1-methyl-3-piperidin-1-iumyl]methoxy]phenyl]methyl]-2-thiophenesulfonamide IUPAC Name: N-cyclopropyl-N-[[3-[[(3S)-1-methylpiperidin-1-ium-3-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide Traditional Name: N-cyclopropyl-N-[3-[[(3S)-1-methylpiperidin-1-ium-3-yl]methoxy]benzyl]thiophene-2-sulfonamide Formula: C21H29N2O3S2+ MolecularWeight: 421.59656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)COC2=CC=CC(=C2)CN(C3CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)COC2=CC=CC(=C2)CN(C3CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H28N2O3S2/c1-22-11-3-6-18(14-22)16-26-20-7-2-5-17(13-20)15-23(19-9-10-19)28(24,25)21-8-4-12-27-21/h2,4-5,7-8,12-13,18-19H,3,6,9-11,14-16H2,1H3/p+1/t18-/m0/s1