ethyl-(2-hydroxyethyl)-[(3-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium

Systemtic Name: ethyl-(2-hydroxyethyl)-[(3-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium Openeye Name: ethyl-(2-hydroxyethyl)-[[3-(piperazin-4-ium-1-carbonyl)phenyl]methyl]ammonium CAS Name: ethyl-(2-hydroxyethyl)-[[3-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl]ammonium IUPAC Name: ethyl-(2-hydroxyethyl)-[[3-(piperazin-4-ium-1-carbonyl)phenyl]methyl]azanium Traditional Name: ethyl-(2-hydroxyethyl)-[3-(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(=C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC[NH+](CCO)CC1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

InChI

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