1-[(4-methylphenyl)methyl]-5-nitro-quinolin-1-ium perchlorate

Systemtic Name: 1-[(4-methylphenyl)methyl]-5-nitro-quinolin-1-ium perchlorate Openeye Name: 5-nitro-1-(p-tolylmethyl)quinolin-1-ium perchlorate CAS Name: 1-[(4-methylphenyl)methyl]-5-nitroquinolin-1-ium perchlorate IUPAC Name: 1-[(4-methylphenyl)methyl]-5-nitroquinolin-1-ium perchlorate Traditional Name: 1-(4-methylbenzyl)-5-nitro-quinolin-1-ium perchlorate Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=CC=CC3=C2C=CC=C3[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=CC=CC3=C2C=CC=C3[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H15N2O2.ClHO4/c1-13-7-9-14(10-8-13)12-18-11-3-4-15-16(18)5-2-6-17(15)19(20)21;2-1(3,4)5/h2-11H,12H2,1H3;(H,2,3,4,5)/q+1;/p-1