anthracen-9-ylmethyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium trichloride

Systemtic Name: anthracen-9-ylmethyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium trichloride Openeye Name: 9-anthrylmethyl-[4-(3-azaniumylpropylammonio)butyl]ammonium trichloride CAS Name: 3-ammoniopropyl-[4-(9-anthracenylmethylammonio)butyl]ammonium trichloride IUPAC Name: anthracen-9-ylmethyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium trichloride Traditional Name: 3-ammoniopropyl-[4-(9-anthrylmethylammonio)butyl]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+]CCCC[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3.3ClH/c23-12-7-15-24-13-5-6-14-25-17-22-20-10-3-1-8-18(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