4-[[1-(2-azanylethyl)piperazin-1-ium-1-yl]methyl]-2,6-ditert-butyl-phenol hydrochloride

Systemtic Name: 4-[[1-(2-azanylethyl)piperazin-1-ium-1-yl]methyl]-2,6-ditert-butyl-phenol hydrochloride Openeye Name: 4-[[1-(2-aminoethyl)piperazin-1-ium-1-yl]methyl]-2,6-ditert-butyl-phenol hydrochloride CAS Name: 4-[[1-(2-aminoethyl)-1-piperazin-1-iumyl]methyl]-2,6-ditert-butylphenol hydrochloride IUPAC Name: 4-[[1-(2-aminoethyl)piperazin-1-ium-1-yl]methyl]-2,6-ditert-butylphenol hydrochloride Traditional Name: 4-[[1-(2-aminoethyl)piperazin-1-ium-1-yl]methyl]-2,6-ditert-butyl-phenol hydrochloride Formula: C21H39ClN3O+ MolecularWeight: 385.00686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+]2(CCNCC2)CCN.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+]2(CCNCC2)CCN.Cl

InChI

InChI=1S/C21H37N3O.ClH/c1-20(2,3)17-13-16(14-18(19(17)25)21(4,5)6)15-24(10-7-22)11-8-23-9-12-24;/h13-14,23H,7-12,15,22H2,1-6H3;1H/p+1