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

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-chloro-5-nitro-phenyl)methyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(2-chloro-5-nitrophenyl)methyl-[3-(dimethylammonio)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-chloro-5-nitrophenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-chloro-5-nitro-benzyl)-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium Formula: C17H31ClN4O2+2 MolecularWeight: 358.90664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)CCCN(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+2