anthracen-9-ylmethyl-[5-(3-azaniumylpropylazaniumyl)pentyl]azanium trichloride

Systemtic Name: anthracen-9-ylmethyl-[5-(3-azaniumylpropylazaniumyl)pentyl]azanium trichloride Openeye Name: 9-anthrylmethyl-[5-(3-azaniumylpropylammonio)pentyl]ammonium trichloride CAS Name: 3-ammoniopropyl-[5-(9-anthracenylmethylammonio)pentyl]ammonium trichloride IUPAC Name: anthracen-9-ylmethyl-[5-(3-azaniumylpropylazaniumyl)pentyl]azanium trichloride Traditional Name: 3-ammoniopropyl-[5-(9-anthrylmethylammonio)pentyl]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+]CCCCC[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3.3ClH/c24-13-8-16-25-14-6-1-7-15-26-18-23-21-11-4-2-9-19(21)17-20-10-3-5-12-22(20)23;;;/h2-5,9-12,17,25-26H,1,6-8,13-16,18,24H2;3*1H