1-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]pyrrolidin-3-ol perchlorate

Systemtic Name: 1-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]pyrrolidin-3-ol perchlorate Openeye Name: 1-[4-(1,3-dimethylimidazol-1-ium-2-yl)azophenyl]pyrrolidin-3-ol perchlorate CAS Name: 1-[4-[(1,3-dimethyl-2-imidazol-1-iumyl)azo]phenyl]-3-pyrrolidinol perchlorate IUPAC Name: 1-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]pyrrolidin-3-ol perchlorate Traditional Name: 1-[4-(1,3-dimethylimidazol-1-ium-2-yl)azophenyl]pyrrolidin-3-ol perchlorate Formula: C15H20ClN5O5 MolecularWeight: 385.8028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N3CCC(C3)O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N3CCC(C3)O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H20N5O.ClHO4/c1-18-9-10-19(2)15(18)17-16-12-3-5-13(6-4-12)20-8-7-14(21)11-20;2-1(3,4)5/h3-6,9-10,14,21H,7-8,11H2,1-2H3;(H,2,3,4,5)/q+1;/p-1