2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C20H25N4O2+ MolecularWeight: 353.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H24N4O2/c1-21-10-12-22(13-11-21)18-6-7-19(24(25)26)20(14-18)23-9-8-16-4-2-3-5-17(16)15-23/h2-7,14H,8-13,15H2,1H3/p+1