4-methyl-N-[(2S)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2S)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[(2S)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[(2S)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(2S)-2-phenyl-2-piperidin-1-ium-1-ylethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[(2S)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C20H26N2O2S/c1-17-10-12-19(13-11-17)25(23,24)21-16-20(18-8-4-2-5-9-18)22-14-6-3-7-15-22/h2,4-5,8-13,20-21H,3,6-7,14-16H2,1H3/p+1/t20-/m1/s1