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

Systemtic Name: anthracen-9-ylmethyl-[4-[4-(4-azaniumylbutylazaniumyl)butylazaniumyl]butyl]azanium tetrachloride Openeye Name: 9-anthrylmethyl-[4-[4-(4-azaniumylbutylammonio)butylammonio]butyl]ammonium tetrachloride CAS Name: 4-ammoniobutyl-[4-[4-(9-anthracenylmethylammonio)butylammonio]butyl]ammonium tetrachloride IUPAC Name: anthracen-9-ylmethyl-[4-[4-(4-azaniumylbutylazaniumyl)butylazaniumyl]butyl]azanium tetrachloride Traditional Name: 4-ammoniobutyl-[4-[4-(9-anthrylmethylammonio)butylammonio]butyl]ammonium tetrachloride Formula: C27H44Cl4N4 MolecularWeight: 566.47706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4.4ClH/c28-15-5-6-16-29-17-7-8-18-30-19-9-10-20-31-22-27-25-13-3-1-11-23(25)21-24-12-2-4-14-26(24)27;;;;/h1-4,11-14,21,29-31H,5-10,15-20,22,28H2;4*1H