1-butyl-3-[[6-[(3-butylperimidin-1-ium-1-yl)methyl]pyridin-2-yl]methyl]perimidin-3-ium

Systemtic Name: 1-butyl-3-[[6-[(3-butylperimidin-1-ium-1-yl)methyl]pyridin-2-yl]methyl]perimidin-3-ium Openeye Name: 1-butyl-3-[[6-[(3-butylperimidin-1-ium-1-yl)methyl]-2-pyridyl]methyl]perimidin-3-ium CAS Name: 1-butyl-3-[[6-[(3-butyl-1-perimidin-1-iumyl)methyl]-2-pyridinyl]methyl]perimidin-3-ium IUPAC Name: 1-butyl-3-[[6-[(3-butylperimidin-1-ium-1-yl)methyl]pyridin-2-yl]methyl]perimidin-3-ium Traditional Name: 1-butyl-3-[[6-[(3-butylperimidin-1-ium-1-yl)methyl]-2-pyridyl]methyl]perimidin-3-ium Formula: C37H39N5+2 MolecularWeight: 553.73906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C2=CC=CC3=C2C1=CC=C3)CC4=NC(=CC=C4)C[N+]5=CN(C6=CC=CC7=C6C5=CC=C7)CCCC

Isomeric SMILES

CCCCN1C=[N+](C2=CC=CC3=C2C1=CC=C3)CC4=NC(=CC=C4)C[N+]5=CN(C6=CC=CC7=C6C5=CC=C7)CCCC

InChI

InChI=1S/C37H39N5/c1-3-5-22-39-26-41(34-20-9-14-28-12-7-18-32(39)36(28)34)24-30-16-11-17-31(38-30)25-42-27-40(23-6-4-2)33-19-8-13-29-15-10-21-35(42)37(29)33/h7-21,26-27H,3-6,22-25H2,1-2H3/q+2