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potassium 1-[4-(3-octylsulfanylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxylate

potassium 1-[4-(3-octylsulfanylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxylate

Systemtic Name:potassium 1-[4-(3-octylsulfanylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxylate
Openeye Name:potassium 1-[4-(3-octylsulfanylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxylate
CAS Name:potassium 1-[4-[[3-(octylthio)propylamino]-oxomethyl]phenyl]-2-pyrrolidinecarboxylate
IUPAC Name:potassium 1-[4-(3-octylsulfanylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxylate
Traditional Name:potassium 1-[4-[3-(octylthio)propylcarbamoyl]phenyl]pyrrolidine-2-carboxylate
Formula: C23H35KN2O3S
MolecularWeight: 458.6989
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCCNC(=O)C1=CC=C(C=C1)N2CCCC2C(=O)[O-].[K+]


Isomeric SMILES

CCCCCCCCSCCCNC(=O)C1=CC=C(C=C1)N2CCCC2C(=O)[O-].[K+]


InChI

InChI=1S/C23H36N2O3S.K/c1-2-3-4-5-6-7-17-29-18-9-15-24-22(26)19-11-13-20(14-12-19)25-16-8-10-21(25)23(27)28;/h11-14,21H,2-10,15-18H2,1H3,(H,24,26)(H,27,28);/q;+1/p-1


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