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17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid

17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid

Systemtic Name:17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid
Openeye Name:17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid
CAS Name:17-(1-pyridin-1-iumyl)heptadeca-10,12-diynoic acid
IUPAC Name:17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid
Traditional Name:17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid
Formula: C22H30NO2+
MolecularWeight: 340.4791
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCC#CC#CCCCCCCCCC(=O)O


Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC#CC#CCCCCCCCCC(=O)O


InChI

InChI=1S/C22H29NO2/c24-22(25)18-14-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-13-17-21-23/h13,16-17,20-21H,1,3,5,7,9-12,14-15,18-19H2/p+1


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