6-[(3-chlorophenyl)methylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(3-chlorophenyl)methylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3-chlorophenyl)methylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3-chlorophenyl)methylamino]-N-ethyl-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[(3-chlorobenzyl)amino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-2-24(18-9-4-3-5-10-18)27(25,26)19-11-12-20(23-15-19)22-14-16-7-6-8-17(21)13-16/h3-13,15H,2,14H2,1H3,(H,22,23)/p+1