N-(1-phenylpropan-2-yl)-19-pyridin-1-ium-1-yl-nonadecanamide bromide

Systemtic Name: N-(1-phenylpropan-2-yl)-19-pyridin-1-ium-1-yl-nonadecanamide bromide Openeye Name: N-(1-methyl-2-phenyl-ethyl)-19-pyridin-1-ium-1-yl-nonadecanamide bromide CAS Name: N-(1-phenylpropan-2-yl)-19-(1-pyridin-1-iumyl)nonadecanamide bromide IUPAC Name: N-(1-phenylpropan-2-yl)-19-pyridin-1-ium-1-ylnonadecanamide bromide Traditional Name: N-(1-methyl-2-phenyl-ethyl)-19-pyridin-1-ium-1-yl-nonadecanamide bromide Formula: C33H53BrN2O MolecularWeight: 573.69072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O.BrH/c1-31(30-32-24-18-16-19-25-32)34-33(36)26-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-27-35-28-22-17-23-29-35;/h16-19,22-25,28-29,31H,2-15,20-21,26-27,30H2,1H3;1H