anthracen-9-ylmethyl-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propyl]azanium tetrachloride

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4.4ClH/c26-13-7-16-27-14-5-6-15-28-17-8-18-29-20-25-23-11-3-1-9-21(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