N-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C20H33N2O3S+ MolecularWeight: 381.55262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C20H32N2O3S/c1-25-19-10-12-20(13-11-19)26(23,24)21-15-17-7-6-14-22(16-17)18-8-4-2-3-5-9-18/h10-13,17-18,21H,2-9,14-16H2,1H3/p+1/t17-/m1/s1