2-[3-(2-nitroimidazol-1-yl)propyl]isoquinolin-2-ium

Systemtic Name: 2-[3-(2-nitroimidazol-1-yl)propyl]isoquinolin-2-ium Openeye Name: 2-[3-(2-nitroimidazol-1-yl)propyl]isoquinolin-2-ium CAS Name: 2-[3-(2-nitro-1-imidazolyl)propyl]isoquinolin-2-ium IUPAC Name: 2-[3-(2-nitroimidazol-1-yl)propyl]isoquinolin-2-ium Traditional Name: 2-[3-(2-nitroimidazol-1-yl)propyl]isoquinolin-2-ium Formula: C15H15N4O2+ MolecularWeight: 283.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCN3C=CN=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCN3C=CN=C3[N+](=O)[O-]

InChI

InChI=1S/C15H15N4O2/c20-19(21)15-16-7-11-18(15)9-3-8-17-10-6-13-4-1-2-5-14(13)12-17/h1-2,4-7,10-12H,3,8-9H2/q+1