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

Systemtic Name: methyl-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]ammonium CAS Name: methyl-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-methyl-ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-17(2)19-8-6-18(7-9-19)14-22(3)16-23-15-20(10-11-21(23)25)28(26,27)24-12-4-5-13-24/h6-11,15,17H,4-5,12-14,16H2,1-3H3/p+1