N-ethyl-N-methyl-4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butan-1-amine

Systemtic Name: N-ethyl-N-methyl-4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butan-1-amine Openeye Name: N-ethyl-4-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]-N-methyl-butan-1-amine CAS Name: N-ethyl-N-methyl-4-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)-1-butanamine IUPAC Name: N-ethyl-N-methyl-4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butan-1-amine Traditional Name: 4-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]butyl-ethyl-methyl-amine Formula: C45H87N2+ MolecularWeight: 656.18568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H87N2/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-36-44(45-38-42-47(43-39-45)41-35-34-40-46(4)7-3)37-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h38-39,42-44H,5-37,40-41H2,1-4H3/q+1