2-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]guanidine

Systemtic Name: 2-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]guanidine Openeye Name: 2-[4-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]butyl]guanidine CAS Name: 2-[4-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)butyl]guanidine IUPAC Name: 2-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]guanidine Traditional Name: 2-[4-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]butyl]guanidine Formula: C43H83N4+ MolecularWeight: 656.14592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H83N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41(42-35-39-47(40-36-42)38-32-31-37-46-43(44)45)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-41H,3-34,37-38H2,1-2H3,(H4,44,45,46)/q+1