butyl 3-phenyl-2-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanoate perchlorate

Systemtic Name: butyl 3-phenyl-2-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanoate perchlorate Openeye Name: butyl 2-benzyl-3-phenyl-2-pyridin-1-ium-1-yl-propanoate perchlorate CAS Name: 3-phenyl-2-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanoic acid butyl ester perchlorate IUPAC Name: butyl 2-benzyl-3-phenyl-2-pyridin-1-ium-1-ylpropanoate perchlorate Traditional Name: 2-benzyl-3-phenyl-2-pyridin-1-ium-1-yl-propionic acid butyl ester perchlorate Formula: C25H28ClNO6 MolecularWeight: 473.94592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)[N+]3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCOC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)[N+]3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H28NO2.ClHO4/c1-2-3-19-28-24(27)25(26-17-11-6-12-18-26,20-22-13-7-4-8-14-22)21-23-15-9-5-10-16-23;2-1(3,4)5/h4-18H,2-3,19-21H2,1H3;(H,2,3,4,5)/q+1;/p-1