N-[2-(2,4-dimethylphenoxy)ethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-(2,4-dimethylphenoxy)ethyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C19H25N3O4S/c1-15-3-5-18(16(2)13-15)26-10-7-20-19-6-4-17(14-21-19)27(23,24)22-8-11-25-12-9-22/h3-6,13-14H,7-12H2,1-2H3,(H,20,21)/p+1