6-[2-(2-methoxy-5-methyl-phenyl)ethylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[2-(2-methoxy-5-methyl-phenyl)ethylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[2-(2-methoxy-5-methyl-phenyl)ethylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[2-(2-methoxy-5-methyl-phenyl)ethylamino]pyridin-1-ium-3-sulfonamide Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC2=[NH+]C=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCNC2=[NH+]C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H19N3O3S/c1-11-3-5-14(21-2)12(9-11)7-8-17-15-6-4-13(10-18-15)22(16,19)20/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)(H2,16,19,20)/p+1