1-methyl-4-tritriaconta-7,26-diyn-17-yl-pyridin-1-ium

Systemtic Name: 1-methyl-4-tritriaconta-7,26-diyn-17-yl-pyridin-1-ium Openeye Name: 4-(1-hexadec-9-ynylheptadec-10-ynyl)-1-methyl-pyridin-1-ium CAS Name: 1-methyl-4-tritriaconta-7,26-diyn-17-ylpyridin-1-ium IUPAC Name: 1-methyl-4-tritriaconta-7,26-diyn-17-ylpyridin-1-ium Traditional Name: 4-(1-hexadec-9-ynylheptadec-10-ynyl)-1-methyl-pyridin-1-ium Formula: C39H66N+ MolecularWeight: 548.94804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCCCCCCCCC(CCCCCCCCC#CCCCCCC)C1=CC=[N+](C=C1)C

Isomeric SMILES

CCCCCCC#CCCCCCCCCC(CCCCCCCCC#CCCCCCC)C1=CC=[N+](C=C1)C

InChI

InChI=1S/C39H66N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(39-34-36-40(3)37-35-39)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-38H,4-13,18-33H2,1-3H3/q+1