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

Systemtic Name: 3-(methylsulfonylamino)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 3-(methanesulfonamido)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3-(methanesulfonamido)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-(methanesulfonamido)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 3-(methanesulfonamido)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]benzamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C18H22N4O3S/c1-26(24,25)21-16-6-4-5-15(11-16)18(23)20-13-14-7-8-17(19-12-14)22-9-2-3-10-22/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,20,23)/p+1