1-dodec-7-ynyl-2-methyl-pyridin-1-ium

Systemtic Name: 1-dodec-7-ynyl-2-methyl-pyridin-1-ium Openeye Name: 1-dodec-7-ynyl-2-methyl-pyridin-1-ium CAS Name: 1-dodec-7-ynyl-2-methylpyridin-1-ium IUPAC Name: 1-dodec-7-ynyl-2-methylpyridin-1-ium Traditional Name: 1-dodec-7-ynyl-2-methyl-pyridin-1-ium Formula: C18H28N+ MolecularWeight: 258.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCCCCC[N+]1=CC=CC=C1C

Isomeric SMILES

CCCCC#CCCCCCC[N+]1=CC=CC=C1C

InChI

InChI=1S/C18H28N/c1-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18(19)2/h12,14-15,17H,3-5,8-11,13,16H2,1-2H3/q+1