6-[3-(2,3,5-trimethylphenoxy)propylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[3-(2,3,5-trimethylphenoxy)propylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[3-(2,3,5-trimethylphenoxy)propylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[3-(2,3,5-trimethylphenoxy)propylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[3-(2,3,5-trimethylphenoxy)propylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[3-(2,3,5-trimethylphenoxy)propylamino]pyridin-1-ium-3-sulfonamide Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N)C)C

InChI

InChI=1S/C17H23N3O3S/c1-12-9-13(2)14(3)16(10-12)23-8-4-7-19-17-6-5-15(11-20-17)24(18,21)22/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20)(H2,18,21,22)/p+1