2-[5-[6-(12-methyltridecyl)-6-oxidanyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl]pentyl]guanidine

Systemtic Name: 2-[5-[6-(12-methyltridecyl)-6-oxidanyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl]pentyl]guanidine Openeye Name: 2-[5-[6-hydroxy-6-(12-methyltridecyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl]pentyl]guanidine CAS Name: 2-[5-[6-hydroxy-6-(12-methyltridecyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl]pentyl]guanidine IUPAC Name: 2-[5-[6-hydroxy-6-(12-methyltridecyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl]pentyl]guanidine Traditional Name: 2-[5-[6-hydroxy-6-(12-methyltridecyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl]pentyl]guanidine Formula: C27H52N5O+ MolecularWeight: 462.73468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC1(C=CC2=[N+](CCCN21)CCCCCN=C(N)N)O

Isomeric SMILES

CC(C)CCCCCCCCCCCC1(C=CC2=[N+](CCCN21)CCCCCN=C(N)N)O

InChI

InChI=1S/C27H52N5O/c1-24(2)16-11-8-6-4-3-5-7-9-12-18-27(33)19-17-25-31(22-15-23-32(25)27)21-14-10-13-20-30-26(28)29/h17,19,24,33H,3-16,18,20-23H2,1-2H3,(H4,28,29,30)/q+1