ethyl-(2-hydroxyethyl)-[(2-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium

Systemtic Name: ethyl-(2-hydroxyethyl)-[(2-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium Openeye Name: ethyl-(2-hydroxyethyl)-[[2-(piperazin-4-ium-1-carbonyl)phenyl]methyl]ammonium CAS Name: ethyl-(2-hydroxyethyl)-[[2-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl]ammonium IUPAC Name: ethyl-(2-hydroxyethyl)-[[2-(piperazin-4-ium-1-carbonyl)phenyl]methyl]azanium Traditional Name: ethyl-(2-hydroxyethyl)-[2-(piperazin-4-ium-1-carbonyl)benzyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCO)CC1=CC=CC=C1C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC[NH+](CCO)CC1=CC=CC=C1C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N3O2/c1-2-18(11-12-20)13-14-5-3-4-6-15(14)16(21)19-9-7-17-8-10-19/h3-6,17,20H,2,7-13H2,1H3/p+2