diethyl-[(2R)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propyl]azanium

Systemtic Name: diethyl-[(2R)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propyl]azanium Openeye Name: [(2R)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2R)-3-(4-benzoyl-1-piperazin-1-iumyl)-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2R)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxypropyl]-diethylazanium Traditional Name: [(2R)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxy-propyl]-diethyl-ammonium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC[NH+](CC)C[C@H](C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H29N3O2/c1-3-19(4-2)14-17(22)15-20-10-12-21(13-11-20)18(23)16-8-6-5-7-9-16/h5-9,17,22H,3-4,10-15H2,1-2H3/p+2/t17-/m1/s1