(3,5-ditert-butylphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-ditert-butylphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-ditert-butylphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,5-ditert-butylphenyl)-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-ditert-butylphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-ditert-butylphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CCO)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CCO)C(C)(C)C

InChI

InChI=1S/C21H34N2O2/c1-20(2,3)17-13-16(14-18(15-17)21(4,5)6)19(25)23-9-7-22(8-10-23)11-12-24/h13-15,24H,7-12H2,1-6H3/p+1