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

Systemtic Name: anthracen-9-ylmethyl-[4-(4-azaniumylbutylazaniumyl)butyl]azanium trichloride Openeye Name: 9-anthrylmethyl-[4-(4-azaniumylbutylammonio)butyl]ammonium trichloride CAS Name: 4-ammoniobutyl-[4-(9-anthracenylmethylammonio)butyl]ammonium trichloride IUPAC Name: anthracen-9-ylmethyl-[4-(4-azaniumylbutylazaniumyl)butyl]azanium trichloride Traditional Name: 4-ammoniobutyl-[4-(9-anthrylmethylammonio)butyl]ammonium trichloride Formula: C23H34Cl3N3 MolecularWeight: 458.89516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3.3ClH/c24-13-5-6-14-25-15-7-8-16-26-18-23-21-11-3-1-9-19(21)17-20-10-2-4-12-22(20)23;;;/h1-4,9-12,17,25-26H,5-8,13-16,18,24H2;3*1H