6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-morpholino-N-[[4-(2-thienyl)phenyl]methyl]pyridin-1-ium-3-sulfonamide CAS Name: 6-(4-morpholinyl)-N-[(4-thiophen-2-ylphenyl)methyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-morpholino-N-[4-(2-thienyl)benzyl]pyridin-1-ium-3-sulfonamide Formula: C20H22N3O3S2+ MolecularWeight: 416.53698

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S2/c24-28(25,18-7-8-20(21-15-18)23-9-11-26-12-10-23)22-14-16-3-5-17(6-4-16)19-2-1-13-27-19/h1-8,13,15,22H,9-12,14H2/p+1