anthracen-9-ylmethyl-[5-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]pentyl]azanium tetrachloride

Systemtic Name: anthracen-9-ylmethyl-[5-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]pentyl]azanium tetrachloride Openeye Name: 9-anthrylmethyl-[5-[4-(3-azaniumylpropylammonio)butylammonio]pentyl]ammonium tetrachloride CAS Name: 3-ammoniopropyl-[4-[5-(9-anthracenylmethylammonio)pentylammonio]butyl]ammonium tetrachloride IUPAC Name: anthracen-9-ylmethyl-[5-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]pentyl]azanium tetrachloride Traditional Name: 3-ammoniopropyl-[4-[5-(9-anthrylmethylammonio)pentylammonio]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+]CCCCC[NH2+]CCCC[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4.4ClH/c28-15-10-20-30-18-9-8-17-29-16-6-1-7-19-31-22-27-25-13-4-2-11-23(25)21-24-12-3-5-14-26(24)27;;;;/h2-5,11-14,21,29-31H,1,6-10,15-20,22,28H2;4*1H