(1R,3E,6S)-4-ethoxy-7-methyl-12-azoniabicyclo[4.4.2]dodec-3-en-11-yn-2-one

Systemtic Name: (1R,3E,6S)-4-ethoxy-7-methyl-12-azoniabicyclo[4.4.2]dodec-3-en-11-yn-2-one Openeye Name: (1R,3E,6S)-4-ethoxy-7-methyl-12-azoniabicyclo[4.4.2]dodec-3-en-11-yn-2-one CAS Name: (1R,3E,6S)-4-ethoxy-7-methyl-12-azoniabicyclo[4.4.2]dodec-3-en-11-yn-2-one IUPAC Name: (1R,3E,6S)-4-ethoxy-7-methyl-12-azoniabicyclo[4.4.2]dodec-3-en-11-yn-2-one Traditional Name: (1R,3E,6S)-4-ethoxy-7-methyl-12-azoniabicyclo[4.4.2]dodec-3-en-11-yn-2-one Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C2CCCC(C(C1)[N+]#C2)C

Isomeric SMILES

CCO/C/1=C/C(=O)[C@@H]2CCCC([C@H](C1)[N+]#C2)C

InChI

InChI=1S/C14H20NO2/c1-3-17-12-7-13-10(2)5-4-6-11(9-15-13)14(16)8-12/h8,10-11,13H,3-7H2,1-2H3/q+1/b12-8+/t10?,11-,13+/m1/s1