2-(2-chloroethyl)-2-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-ium chloride

Systemtic Name: 2-(2-chloroethyl)-2-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-ium chloride Openeye Name: 2-(2-chloroethyl)-2-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-ium chloride CAS Name: 2-(2-chloroethyl)-2-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-ium chloride IUPAC Name: 2-(2-chloroethyl)-2-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-ium chloride Traditional Name: 2-(2-chloroethyl)-2-methyl-6-nitro-3,4-dihydro-1H-isoquinolin-2-ium chloride Formula: C12H16Cl2N2O2 MolecularWeight: 291.17364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1)C=CC(=C2)[N+](=O)[O-])CCCl.[Cl-]

Isomeric SMILES

C[N+]1(CCC2=C(C1)C=CC(=C2)[N+](=O)[O-])CCCl.[Cl-]

InChI

InChI=1S/C12H16ClN2O2.ClH/c1-15(7-5-13)6-4-10-8-12(14(16)17)3-2-11(10)9-15;/h2-3,8H,4-7,9H2,1H3;1H/q+1;/p-1