1-heptyl-4-[5-(1-heptylpyridin-1-ium-4-yl)-3,4-dimethyl-1H-pyrrol-2-yl]pyridin-1-ium dibromide

Systemtic Name: 1-heptyl-4-[5-(1-heptylpyridin-1-ium-4-yl)-3,4-dimethyl-1H-pyrrol-2-yl]pyridin-1-ium dibromide Openeye Name: 1-heptyl-4-[5-(1-heptylpyridin-1-ium-4-yl)-3,4-dimethyl-1H-pyrrol-2-yl]pyridin-1-ium dibromide CAS Name: 1-heptyl-4-[5-(1-heptyl-4-pyridin-1-iumyl)-3,4-dimethyl-1H-pyrrol-2-yl]pyridin-1-ium dibromide IUPAC Name: 1-heptyl-4-[5-(1-heptylpyridin-1-ium-4-yl)-3,4-dimethyl-1H-pyrrol-2-yl]pyridin-1-ium dibromide Traditional Name: 1-heptyl-4-[5-(1-heptylpyridin-1-ium-4-yl)-3,4-dimethyl-1H-pyrrol-2-yl]pyridin-1-ium dibromide Formula: C30H45Br2N3 MolecularWeight: 607.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=[N+](C=C3)CCCCCCC)C)C.[Br-].[Br-]

Isomeric SMILES

CCCCCCC[N+]1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=[N+](C=C3)CCCCCCC)C)C.[Br-].[Br-]

InChI

InChI=1S/C30H44N3.2BrH/c1-5-7-9-11-13-19-32-21-15-27(16-22-32)29-25(3)26(4)30(31-29)28-17-23-33(24-18-28)20-14-12-10-8-6-2;;/h15-18,21-24H,5-14,19-20H2,1-4H3;2*1H/q+1;;/p-1