3,4-dimethoxy-1-(phenylmethyl)quinolin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 3,4-dimethoxy-1-(phenylmethyl)quinolin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-benzyl-3,4-dimethoxy-quinolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 3,4-dimethoxy-1-(phenylmethyl)quinolin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-benzyl-3,4-dimethoxyquinolin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-benzyl-3,4-dimethoxy-quinolin-1-ium picrate Formula: C24H20N4O9 MolecularWeight: 508.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2[N+](=C1)CC3=CC=CC=C3)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=CC=CC=C2[N+](=C1)CC3=CC=CC=C3)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18NO2.C6H3N3O7/c1-20-17-13-19(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)18(17)21-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-11,13H,12H2,1-2H3;1-2,10H/q+1;/p-1