trimethyl-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium

Systemtic Name: trimethyl-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium Openeye Name: 4-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]butyl-trimethyl-ammonium CAS Name: trimethyl-[4-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)butyl]ammonium IUPAC Name: trimethyl-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium Traditional Name: 4-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]butyl-trimethyl-ammonium Formula: C45H88N2+2 MolecularWeight: 657.19362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[N+](C)(C)C

InChI

InChI=1S/C45H88N2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-44(45-38-41-46(42-39-45)40-34-35-43-47(3,4)5)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38-39,41-42,44H,6-37,40,43H2,1-5H3/q+2