N-[10-methyl-6-(octadecanoylamino)acridin-10-ium-3-yl]octadecanamide bromide

Systemtic Name: N-[10-methyl-6-(octadecanoylamino)acridin-10-ium-3-yl]octadecanamide bromide Openeye Name: N-[10-methyl-6-(octadecanoylamino)acridin-10-ium-3-yl]octadecanamide bromide CAS Name: N-[10-methyl-6-(1-oxooctadecylamino)-3-acridin-10-iumyl]octadecanamide bromide IUPAC Name: N-[10-methyl-6-(octadecanoylamino)acridin-10-ium-3-yl]octadecanamide bromide Traditional Name: N-(10-methyl-6-stearamido-acridin-10-ium-3-yl)stearamide bromide Formula: C50H82BrN3O2 MolecularWeight: 837.10898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=[N+]2C)NC(=O)CCCCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=[N+]2C)NC(=O)CCCCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C50H81N3O2.BrH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-49(54)51-45-38-36-43-40-44-37-39-46(42-48(44)53(3)47(43)41-45)52-50(55)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h36-42H,4-35H2,1-3H3,(H,51,52,54,55);1H