4-fluoranyl-3-methyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-3-methyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-fluoro-3-methyl-benzenesulfonamide CAS Name: 4-fluoro-3-methyl-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-fluoro-3-methyl-benzenesulfonamide Formula: C20H26FN2O2S+ MolecularWeight: 377.496043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)F

InChI

InChI=1S/C20H25FN2O2S/c1-16-13-19(7-8-20(16)21)26(24,25)22-14-17-9-11-23(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17,22H,9-12,14-15H2,1H3/p+1