[4-(cyclopropylamino)-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C15H21N4O3+ MolecularWeight: 305.35224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O3/c1-17-6-8-18(9-7-17)15(20)11-2-5-13(16-12-3-4-12)14(10-11)19(21)22/h2,5,10,12,16H,3-4,6-9H2,1H3/p+1