anthracen-9-ylmethyl-[3-(4-azaniumylbutylazaniumyl)propyl]azanium trichloride

Systemtic Name: anthracen-9-ylmethyl-[3-(4-azaniumylbutylazaniumyl)propyl]azanium trichloride Openeye Name: 9-anthrylmethyl-[3-(4-azaniumylbutylammonio)propyl]ammonium trichloride CAS Name: 4-ammoniobutyl-[3-(9-anthracenylmethylammonio)propyl]ammonium trichloride IUPAC Name: anthracen-9-ylmethyl-[3-(4-azaniumylbutylazaniumyl)propyl]azanium trichloride Traditional Name: 4-ammoniobutyl-[3-(9-anthrylmethylammonio)propyl]ammonium trichloride Formula: C22H32Cl3N3 MolecularWeight: 444.86858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C[NH2+]CCC[NH2+]CCCC[NH3+].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C[NH2+]CCC[NH2+]CCCC[NH3+].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C22H29N3.3ClH/c23-12-5-6-13-24-14-7-15-25-17-22-20-10-3-1-8-18(20)16-19-9-2-4-11-21(19)22;;;/h1-4,8-11,16,24-25H,5-7,12-15,17,23H2;3*1H