2-(2,4-dinitrophenyl)-4-prop-2-enoxy-isoquinolin-2-ium chloride

Systemtic Name: 2-(2,4-dinitrophenyl)-4-prop-2-enoxy-isoquinolin-2-ium chloride Openeye Name: 4-allyloxy-2-(2,4-dinitrophenyl)isoquinolin-2-ium chloride CAS Name: 2-(2,4-dinitrophenyl)-4-prop-2-enoxyisoquinolin-2-ium chloride IUPAC Name: 2-(2,4-dinitrophenyl)-4-prop-2-enoxyisoquinolin-2-ium chloride Traditional Name: 4-allyloxy-2-(2,4-dinitrophenyl)isoquinolin-2-ium chloride Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C[N+](=CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

C=CCOC1=C[N+](=CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C18H14N3O5.ClH/c1-2-9-26-18-12-19(11-13-5-3-4-6-15(13)18)16-8-7-14(20(22)23)10-17(16)21(24)25;/h2-8,10-12H,1,9H2;1H/q+1;/p-1