1,3,3-trimethyl-2-methylidene-5-nitro-1H-indol-1-ium perchlorate

Systemtic Name: 1,3,3-trimethyl-2-methylidene-5-nitro-1H-indol-1-ium perchlorate Openeye Name: 1,3,3-trimethyl-2-methylene-5-nitro-indolin-1-ium perchlorate CAS Name: 1,3,3-trimethyl-2-methylene-5-nitro-1H-indol-1-ium perchlorate IUPAC Name: 1,3,3-trimethyl-2-methylidene-5-nitro-1H-indol-1-ium perchlorate Traditional Name: 1,3,3-trimethyl-2-methylene-5-nitro-indolin-1-ium perchlorate Formula: C12H15ClN2O6 MolecularWeight: 318.7103

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C)[NH+](C2=C1C=C(C=C2)[N+](=O)[O-])C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1(C(=C)[NH+](C2=C1C=C(C=C2)[N+](=O)[O-])C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H14N2O2.ClHO4/c1-8-12(2,3)10-7-9(14(15)16)5-6-11(10)13(8)4;2-1(3,4)5/h5-7H,1H2,2-4H3;(H,2,3,4,5)