[1-(2-chloranyl-5-methyl-4-phenoxy-phenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-(2-chloranyl-5-methyl-4-phenoxy-phenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-mesyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H22ClN2O3S+ MolecularWeight: 405.91828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC2=CC=CC=C2)Cl)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1OC2=CC=CC=C2)Cl)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C

InChI

InChI=1S/C20H22ClN2O3S/c1-15-11-19(18(21)12-20(15)26-17-8-4-3-5-9-17)23(27(2,24)25)10-6-7-16(13-22)14-23/h3-9,11-12,14H,10,13,22H2,1-2H3/q+1