4-methylsulfonyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-methylsulfonyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-methylsulfonyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-methylsulfonyl-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-methylsulfonyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-mesyl-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]benzamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C18H21N3O3S/c1-25(23,24)16-7-5-15(6-8-16)18(22)20-13-14-4-9-17(19-12-14)21-10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,22)/p+1