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

Systemtic Name: anthracen-9-ylmethyl-[4-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]butyl]azanium tetrachloride Openeye Name: 9-anthrylmethyl-[4-[4-(3-azaniumylpropylammonio)butylammonio]butyl]ammonium tetrachloride CAS Name: 3-ammoniopropyl-[4-[4-(9-anthracenylmethylammonio)butylammonio]butyl]ammonium tetrachloride IUPAC Name: anthracen-9-ylmethyl-[4-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]butyl]azanium tetrachloride Traditional Name: 3-ammoniopropyl-[4-[4-(9-anthrylmethylammonio)butylammonio]butyl]ammonium tetrachloride Formula: C26H42Cl4N4 MolecularWeight: 552.45048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4.4ClH/c27-14-9-19-29-17-6-5-15-28-16-7-8-18-30-21-26-24-12-3-1-10-22(24)20-23-11-2-4-13-25(23)26;;;;/h1-4,10-13,20,28-30H,5-9,14-19,21,27H2;4*1H