5-methyl-6-[(4-nitrophenyl)methyl]phenanthridin-5-ium-8-amine chloride

Systemtic Name: 5-methyl-6-[(4-nitrophenyl)methyl]phenanthridin-5-ium-8-amine chloride Openeye Name: 5-methyl-6-[(4-nitrophenyl)methyl]phenanthridin-5-ium-8-amine chloride CAS Name: 5-methyl-6-[(4-nitrophenyl)methyl]-8-phenanthridin-5-iumamine chloride IUPAC Name: 5-methyl-6-[(4-nitrophenyl)methyl]phenanthridin-5-ium-8-amine chloride Traditional Name: [5-methyl-6-(4-nitrobenzyl)phenanthridin-5-ium-8-yl]amine chloride Formula: C21H18ClN3O2 MolecularWeight: 379.83952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)CC4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)CC4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H18N3O2.ClH/c1-23-20-5-3-2-4-18(20)17-11-8-15(22)13-19(17)21(23)12-14-6-9-16(10-7-14)24(25)26;/h2-11,13H,12,22H2,1H3;1H/q+1;/p-1