5-morpholin-4-ylsulfonyl-N-[3-(2,3,5-trimethylphenoxy)propyl]pyridin-1-ium-2-amine

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-[3-(2,3,5-trimethylphenoxy)propyl]pyridin-1-ium-2-amine Openeye Name: 5-morpholinosulfonyl-N-[3-(2,3,5-trimethylphenoxy)propyl]pyridin-1-ium-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-[3-(2,3,5-trimethylphenoxy)propyl]-2-pyridin-1-iumamine IUPAC Name: 5-morpholin-4-ylsulfonyl-N-[3-(2,3,5-trimethylphenoxy)propyl]pyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-[3-(2,3,5-trimethylphenoxy)propyl]amine Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C)C

InChI

InChI=1S/C21H29N3O4S/c1-16-13-17(2)18(3)20(14-16)28-10-4-7-22-21-6-5-19(15-23-21)29(25,26)24-8-11-27-12-9-24/h5-6,13-15H,4,7-12H2,1-3H3,(H,22,23)/p+1