azanyl-methylsulfonyloxy-[[4-(3-phenylpropoxy)phenyl]methyl]-propanoyl-azanium

Systemtic Name: azanyl-methylsulfonyloxy-[[4-(3-phenylpropoxy)phenyl]methyl]-propanoyl-azanium Openeye Name: amino-methylsulfonyloxy-[[4-(3-phenylpropoxy)phenyl]methyl]-propanoyl-ammonium CAS Name: amino-methylsulfonyloxy-(1-oxopropyl)-[[4-(3-phenylpropoxy)phenyl]methyl]ammonium IUPAC Name: amino-methylsulfonyloxy-[[4-(3-phenylpropoxy)phenyl]methyl]-propanoylazanium Traditional Name: amino-methylsulfonyloxy-[4-(3-phenylpropoxy)benzyl]-propionyl-ammonium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](CC1=CC=C(C=C1)OCCCC2=CC=CC=C2)(N)OS(=O)(=O)C

Isomeric SMILES

CCC(=O)[N+](CC1=CC=C(C=C1)OCCCC2=CC=CC=C2)(N)OS(=O)(=O)C

InChI

InChI=1S/C20H27N2O5S/c1-3-20(23)22(21,27-28(2,24)25)16-18-11-13-19(14-12-18)26-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14H,3,7,10,15-16,21H2,1-2H3/q+1