1-(3-methyl-3-nitro-butyl)-4-phenyl-pyridin-1-ium perchlorate

Systemtic Name: 1-(3-methyl-3-nitro-butyl)-4-phenyl-pyridin-1-ium perchlorate Openeye Name: 1-(3-methyl-3-nitro-butyl)-4-phenyl-pyridin-1-ium perchlorate CAS Name: 1-(3-methyl-3-nitrobutyl)-4-phenylpyridin-1-ium perchlorate IUPAC Name: 1-(3-methyl-3-nitrobutyl)-4-phenylpyridin-1-ium perchlorate Traditional Name: 1-(3-methyl-3-nitro-butyl)-4-phenyl-pyridin-1-ium perchlorate Formula: C16H19ClN2O6 MolecularWeight: 370.78486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC[N+]1=CC=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(CC[N+]1=CC=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H19N2O2.ClHO4/c1-16(2,18(19)20)10-13-17-11-8-15(9-12-17)14-6-4-3-5-7-14;2-1(3,4)5/h3-9,11-12H,10,13H2,1-2H3;(H,2,3,4,5)/q+1;/p-1