[4-[3-(3-methylimidazol-3-ium-1-yl)pyrrolidin-1-yl]phenyl]azanium dichloride

Systemtic Name: [4-[3-(3-methylimidazol-3-ium-1-yl)pyrrolidin-1-yl]phenyl]azanium dichloride Openeye Name: [4-[3-(3-methylimidazol-3-ium-1-yl)pyrrolidin-1-yl]phenyl]ammonium dichloride CAS Name: [4-[3-(3-methyl-1-imidazol-3-iumyl)-1-pyrrolidinyl]phenyl]ammonium dichloride IUPAC Name: [4-[3-(3-methylimidazol-3-ium-1-yl)pyrrolidin-1-yl]phenyl]azanium dichloride Traditional Name: [4-[3-(3-methylimidazol-3-ium-1-yl)pyrrolidino]phenyl]ammonium dichloride Formula: C14H20Cl2N4 MolecularWeight: 315.2414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2CCN(C2)C3=CC=C(C=C3)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2CCN(C2)C3=CC=C(C=C3)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C14H19N4.2ClH/c1-16-8-9-18(11-16)14-6-7-17(10-14)13-4-2-12(15)3-5-13;;/h2-5,8-9,11,14H,6-7,10,15H2,1H3;2*1H/q+1;;/p-1