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

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

Systemtic Name:17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid chloride
Openeye Name:17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid chloride
CAS Name:17-(1-pyridin-1-iumyl)heptadeca-10,12-diynoic acid chloride
IUPAC Name:17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid chloride
Traditional Name:17-pyridin-1-ium-1-ylheptadeca-10,12-diynoic acid chloride
Formula: C22H30ClNO2
MolecularWeight: 375.9321
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H29NO2.ClH/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;1H


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