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

Systemtic Name: anthracen-9-ylmethyl-[3-[3-(4-azaniumylbutylazaniumyl)propylazaniumyl]propyl]azanium tetrachloride Openeye Name: 9-anthrylmethyl-[3-[3-(4-azaniumylbutylammonio)propylammonio]propyl]ammonium tetrachloride CAS Name: 4-ammoniobutyl-[3-[3-(9-anthracenylmethylammonio)propylammonio]propyl]ammonium tetrachloride IUPAC Name: anthracen-9-ylmethyl-[3-[3-(4-azaniumylbutylazaniumyl)propylazaniumyl]propyl]azanium tetrachloride Traditional Name: 4-ammoniobutyl-[3-[3-(9-anthrylmethylammonio)propylammonio]propyl]ammonium tetrachloride Formula: C25H40Cl4N4 MolecularWeight: 538.4239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4.4ClH/c26-13-5-6-14-27-15-7-16-28-17-8-18-29-20-25-23-11-3-1-9-21(23)19-22-10-2-4-12-24(22)25;;;;/h1-4,9-12,19,27-29H,5-8,13-18,20,26H2;4*1H