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

Systemtic Name: anthracen-9-ylmethyl-[3-(3-azaniumylpropylazaniumyl)propyl]azanium trichloride Openeye Name: 9-anthrylmethyl-[3-(3-azaniumylpropylammonio)propyl]ammonium trichloride CAS Name: 3-ammoniopropyl-[3-(9-anthracenylmethylammonio)propyl]ammonium trichloride IUPAC Name: anthracen-9-ylmethyl-[3-(3-azaniumylpropylazaniumyl)propyl]azanium trichloride Traditional Name: 3-ammoniopropyl-[3-(9-anthrylmethylammonio)propyl]ammonium trichloride Formula: C21H30Cl3N3 MolecularWeight: 430.842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3.3ClH/c22-11-5-12-23-13-6-14-24-16-21-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)21;;;/h1-4,7-10,15,23-24H,5-6,11-14,16,22H2;3*1H