1-dodec-7-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide

Systemtic Name: 1-dodec-7-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide Openeye Name: 1-dodec-7-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide CAS Name: 1-dodec-7-ynyl-3-(1-methyl-2-pyrrolidinyl)pyridin-1-ium bromide IUPAC Name: 1-dodec-7-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide Traditional Name: 1-dodec-7-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide Formula: C22H35BrN2 MolecularWeight: 407.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[Br-]

Isomeric SMILES

CCCCC#CCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[Br-]

InChI

InChI=1S/C22H35N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2;/h13,15,19-20,22H,3-5,8-12,14,16-18H2,1-2H3;1H/q+1;/p-1