N-(1-phenylpropan-2-yl)-15-pyridin-1-ium-1-yl-pentadecanamide bromide

Systemtic Name: N-(1-phenylpropan-2-yl)-15-pyridin-1-ium-1-yl-pentadecanamide bromide Openeye Name: N-(1-methyl-2-phenyl-ethyl)-15-pyridin-1-ium-1-yl-pentadecanamide bromide CAS Name: N-(1-phenylpropan-2-yl)-15-(1-pyridin-1-iumyl)pentadecanamide bromide IUPAC Name: N-(1-phenylpropan-2-yl)-15-pyridin-1-ium-1-ylpentadecanamide bromide Traditional Name: N-(1-methyl-2-phenyl-ethyl)-15-pyridin-1-ium-1-yl-pentadecanamide bromide Formula: C29H45BrN2O MolecularWeight: 517.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC(=O)CCCCCCCCCCCCCC[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(CC1=CC=CC=C1)NC(=O)CCCCCCCCCCCCCC[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C29H44N2O.BrH/c1-27(26-28-20-14-12-15-21-28)30-29(32)22-16-10-8-6-4-2-3-5-7-9-11-17-23-31-24-18-13-19-25-31;/h12-15,18-21,24-25,27H,2-11,16-17,22-23,26H2,1H3;1H