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

Systemtic Name: anthracen-9-ylmethyl-[5-[5-(4-azaniumylbutylazaniumyl)pentylazaniumyl]pentyl]azanium tetrachloride Openeye Name: 9-anthrylmethyl-[5-[5-(4-azaniumylbutylammonio)pentylammonio]pentyl]ammonium tetrachloride CAS Name: 4-ammoniobutyl-[5-[5-(9-anthracenylmethylammonio)pentylammonio]pentyl]ammonium tetrachloride IUPAC Name: anthracen-9-ylmethyl-[5-[5-(4-azaniumylbutylazaniumyl)pentylazaniumyl]pentyl]azanium tetrachloride Traditional Name: 4-ammoniobutyl-[5-[5-(9-anthrylmethylammonio)pentylammonio]pentyl]ammonium tetrachloride Formula: C29H48Cl4N4 MolecularWeight: 594.53022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N4.4ClH/c30-17-7-12-21-32-20-9-1-8-18-31-19-10-2-11-22-33-24-29-27-15-5-3-13-25(27)23-26-14-4-6-16-28(26)29;;;;/h3-6,13-16,23,31-33H,1-2,7-12,17-22,24,30H2;4*1H