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dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium; 1-methylbicyclo[2.2.2]oct-2-ene-4-carboxylate

dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium; 1-methylbicyclo[2.2.2]oct-2-ene-4-carboxylate

Systemtic Name:dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium; 1-methylbicyclo[2.2.2]oct-2-ene-4-carboxylate
Openeye Name:dimethyl-(2-phenoxyethyl)-(2-thienylmethyl)ammonium; 1-methylbicyclo[2.2.2]oct-2-ene-4-carboxylate
CAS Name:dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)ammonium; 1-methyl-4-bicyclo[2.2.2]oct-2-enecarboxylate
IUPAC Name:dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium; 1-methylbicyclo[2.2.2]oct-2-ene-4-carboxylate
Traditional Name:dimethyl-(2-phenoxyethyl)-(2-thenyl)ammonium; 1-methylbicyclo[2.2.2]oct-2-ene-4-carboxylate
Formula: C25H33NO3S
MolecularWeight: 427.59942
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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1)(C=C2)C(=O)[O-].C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2


Isomeric SMILES

CC12CCC(CC1)(C=C2)C(=O)[O-].C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2


InChI

InChI=1S/C15H20NOS.C10H14O2/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;1-9-2-5-10(6-3-9,7-4-9)8(11)12/h3-9,12H,10-11,13H2,1-2H3;2,5H,3-4,6-7H2,1H3,(H,11,12)/q+1;/p-1


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