2-[4-(6-oxidanyl-6-tetradec-13-enyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)butyl]guanidine

Systemtic Name: 2-[4-(6-oxidanyl-6-tetradec-13-enyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)butyl]guanidine Openeye Name: 2-[4-(6-hydroxy-6-tetradec-13-enyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)butyl]guanidine CAS Name: 2-[4-(6-hydroxy-6-tetradec-13-enyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)butyl]guanidine IUPAC Name: 2-[4-(6-hydroxy-6-tetradec-13-enyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)butyl]guanidine Traditional Name: 2-[4-(6-hydroxy-6-tetradec-13-enyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)butyl]guanidine Formula: C26H48N5O+ MolecularWeight: 446.69222

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCCCCCC1(C=CC2=[N+](CCCN21)CCCCN=C(N)N)O

Isomeric SMILES

C=CCCCCCCCCCCCCC1(C=CC2=[N+](CCCN21)CCCCN=C(N)N)O

InChI

InChI=1S/C26H48N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26(32)19-17-24-30(22-16-23-31(24)26)21-15-14-20-29-25(27)28/h2,17,19,32H,1,3-16,18,20-23H2,(H4,27,28,29)/q+1