(2-chloranyl-5-nitro-phenyl)methyl-bis[3-(dimethylazaniumyl)propyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-bis[3-(dimethylazaniumyl)propyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-bis[3-(dimethylammonio)propyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-bis[3-(dimethylammonio)propyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-bis[3-(dimethylazaniumyl)propyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-bis[3-(dimethylammonio)propyl]ammonium Formula: C17H32ClN4O2+3 MolecularWeight: 359.91458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H29ClN4O2/c1-19(2)9-5-11-21(12-6-10-20(3)4)14-15-13-16(22(23)24)7-8-17(15)18/h7-8,13H,5-6,9-12,14H2,1-4H3/p+3