[4-(4-chloranyl-2-nitro-phenoxy)phenyl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [4-(4-chloranyl-2-nitro-phenoxy)phenyl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [4-(4-chloro-2-nitro-phenoxy)phenyl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [4-(4-chloro-2-nitrophenoxy)phenyl]methyl-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [4-(4-chloro-2-nitrophenoxy)phenyl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [4-(4-chloro-2-nitro-phenoxy)benzyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C21H29ClN4O3+2 MolecularWeight: 420.93296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H27ClN4O3/c1-24-11-13-25(14-12-24)10-2-9-23-16-17-3-6-19(7-4-17)29-21-8-5-18(22)15-20(21)26(27)28/h3-8,15,23H,2,9-14,16H2,1H3/p+2