3-[cyclopropyl-[(4-methoxyphenyl)methyl]azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[cyclopropyl-[(4-methoxyphenyl)methyl]azaniumyl]propane-1-sulfonate Openeye Name: 3-[cyclopropyl-[(4-methoxyphenyl)methyl]ammonio]propane-1-sulfonate CAS Name: 3-[cyclopropyl-[(4-methoxyphenyl)methyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[cyclopropyl-[(4-methoxyphenyl)methyl]azaniumyl]propane-1-sulfonate Traditional Name: 3-[cyclopropyl(p-anisyl)ammonio]propane-1-sulfonate Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CCCS(=O)(=O)[O-])C2CC2

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CCCS(=O)(=O)[O-])C2CC2

InChI

InChI=1S/C14H21NO4S/c1-19-14-7-3-12(4-8-14)11-15(13-5-6-13)9-2-10-20(16,17)18/h3-4,7-8,13H,2,5-6,9-11H2,1H3,(H,16,17,18)