diethyl-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]azanium

Systemtic Name: diethyl-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-(4-phenyl-1-piperazin-1-iumyl)propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-3-18(4-2)14-17(21)15-19-10-12-20(13-11-19)16-8-6-5-7-9-16/h5-9,17,21H,3-4,10-15H2,1-2H3/p+2/t17-/m0/s1