2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-methyl-(phenylmethyl)azanium Openeye Name: 2-(3-amino-3-oxo-propyl)sulfonylethyl-benzyl-methyl-ammonium CAS Name: 2-(3-amino-3-oxopropyl)sulfonylethyl-methyl-(phenylmethyl)ammonium IUPAC Name: 2-(3-amino-3-oxopropyl)sulfonylethyl-benzyl-methylazanium Traditional Name: 2-(3-amino-3-keto-propyl)sulfonylethyl-benzyl-methyl-ammonium Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)CCC(=O)N)CC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCS(=O)(=O)CCC(=O)N)CC1=CC=CC=C1

InChI

InChI=1S/C13H20N2O3S/c1-15(11-12-5-3-2-4-6-12)8-10-19(17,18)9-7-13(14)16/h2-6H,7-11H2,1H3,(H2,14,16)/p+1