N-(1-oxidanyl-3-phenyl-propan-2-yl)-15-pyridin-1-ium-1-yl-pentadecanamide

Systemtic Name: N-(1-oxidanyl-3-phenyl-propan-2-yl)-15-pyridin-1-ium-1-yl-pentadecanamide Openeye Name: N-(1-benzyl-2-hydroxy-ethyl)-15-pyridin-1-ium-1-yl-pentadecanamide CAS Name: N-(1-hydroxy-3-phenylpropan-2-yl)-15-(1-pyridin-1-iumyl)pentadecanamide IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)-15-pyridin-1-ium-1-ylpentadecanamide Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)-15-pyridin-1-ium-1-yl-pentadecanamide Formula: C29H45N2O2+ MolecularWeight: 453.6798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)NC(=O)CCCCCCCCCCCCCC[N+]2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)NC(=O)CCCCCCCCCCCCCC[N+]2=CC=CC=C2

InChI

InChI=1S/C29H44N2O2/c32-26-28(25-27-19-13-11-14-20-27)30-29(33)21-15-9-7-5-3-1-2-4-6-8-10-16-22-31-23-17-12-18-24-31/h11-14,17-20,23-24,28,32H,1-10,15-16,21-22,25-26H2/p+1