diethyl-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]azanium

Systemtic Name: diethyl-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]azanium Openeye Name: [(2R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxy-propyl]-diethyl-ammonium CAS Name: diethyl-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propyl]ammonium IUPAC Name: [(2R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxypropyl]-diethylazanium Traditional Name: [(2R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxy-propyl]-diethyl-ammonium Formula: C18H34N3O+3 MolecularWeight: 308.48206

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)O

Isomeric SMILES

CC[NH+](CC)C[C@H](C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)O

InChI

InChI=1S/C18H31N3O/c1-3-19(4-2)15-18(22)16-21-12-10-20(11-13-21)14-17-8-6-5-7-9-17/h5-9,18,22H,3-4,10-16H2,1-2H3/p+3/t18-/m1/s1