methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]azanium

Systemtic Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]azanium Openeye Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]ammonium CAS Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]ammonium IUPAC Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]azanium Traditional Name: (2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H26N4O4S/c1-21-20(26)17-7-5-16(6-8-17)13-22(2)15-23-14-18(9-10-19(23)25)29(27,28)24-11-3-4-12-24/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,21,26)/p+1