5-[5-(2-nitroimidazol-1-yl)pentyl]phenanthridin-5-ium

Systemtic Name: 5-[5-(2-nitroimidazol-1-yl)pentyl]phenanthridin-5-ium Openeye Name: 5-[5-(2-nitroimidazol-1-yl)pentyl]phenanthridin-5-ium CAS Name: 5-[5-(2-nitro-1-imidazolyl)pentyl]phenanthridin-5-ium IUPAC Name: 5-[5-(2-nitroimidazol-1-yl)pentyl]phenanthridin-5-ium Traditional Name: 5-[5-(2-nitroimidazol-1-yl)pentyl]phenanthridin-5-ium Formula: C21H21N4O2+ MolecularWeight: 361.41704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=[N+](C3=CC=CC=C23)CCCCCN4C=CN=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=[N+](C3=CC=CC=C23)CCCCCN4C=CN=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N4O2/c26-25(27)21-22-12-15-23(21)13-6-1-7-14-24-16-17-8-2-3-9-18(17)19-10-4-5-11-20(19)24/h2-5,8-12,15-16H,1,6-7,13-14H2/q+1