N,N-diethyl-3,6-dinitro-4-phenyl-quinolin-1-ium-2-amine

Systemtic Name: N,N-diethyl-3,6-dinitro-4-phenyl-quinolin-1-ium-2-amine Openeye Name: N,N-diethyl-3,6-dinitro-4-phenyl-quinolin-1-ium-2-amine CAS Name: N,N-diethyl-3,6-dinitro-4-phenyl-2-quinolin-1-iumamine IUPAC Name: N,N-diethyl-3,6-dinitro-4-phenylquinolin-1-ium-2-amine Traditional Name: (3,6-dinitro-4-phenyl-quinolin-1-ium-2-yl)-diethyl-amine Formula: C19H19N4O4+ MolecularWeight: 367.37856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=C2C=C(C=CC2=[NH+]1)[N+](=O)[O-])C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C(=C2C=C(C=CC2=[NH+]1)[N+](=O)[O-])C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4/c1-3-21(4-2)19-18(23(26)27)17(13-8-6-5-7-9-13)15-12-14(22(24)25)10-11-16(15)20-19/h5-12H,3-4H2,1-2H3/p+1