anthracen-9-ylmethyl-[5-[4-(4-azaniumylbutylazaniumyl)butylazaniumyl]pentyl]azanium tetrachloride

Systemtic Name: anthracen-9-ylmethyl-[5-[4-(4-azaniumylbutylazaniumyl)butylazaniumyl]pentyl]azanium tetrachloride Openeye Name: 9-anthrylmethyl-[5-[4-(4-azaniumylbutylammonio)butylammonio]pentyl]ammonium tetrachloride CAS Name: 4-ammoniobutyl-[4-[5-(9-anthracenylmethylammonio)pentylammonio]butyl]ammonium tetrachloride IUPAC Name: anthracen-9-ylmethyl-[5-[4-(4-azaniumylbutylazaniumyl)butylazaniumyl]pentyl]azanium tetrachloride Traditional Name: 4-ammoniobutyl-[4-[5-(9-anthrylmethylammonio)pentylammonio]butyl]ammonium tetrachloride Formula: C28H46Cl4N4 MolecularWeight: 580.50364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N4.4ClH/c29-16-6-9-18-31-20-11-10-19-30-17-7-1-8-21-32-23-28-26-14-4-2-12-24(26)22-25-13-3-5-15-27(25)28;;;;/h2-5,12-15,22,30-32H,1,6-11,16-21,23,29H2;4*1H