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

Systemtic Name: diethyl-[(2S)-2-oxidanyl-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]azaniumyl]propyl]azanium Openeye Name: [(2S)-3-[(1-benzylpiperidin-1-ium-4-yl)ammonio]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonio]propyl]ammonium IUPAC Name: [(2S)-3-[(1-benzylpiperidin-1-ium-4-yl)azaniumyl]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2S)-3-[(1-benzylpiperidin-1-ium-4-yl)ammonio]-2-hydroxy-propyl]-diethyl-ammonium Formula: C19H36N3O+3 MolecularWeight: 322.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2)O

Isomeric SMILES

CC[NH+](CC)C[C@H](C[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2)O

InChI

InChI=1S/C19H33N3O/c1-3-21(4-2)16-19(23)14-20-18-10-12-22(13-11-18)15-17-8-6-5-7-9-17/h5-9,18-20,23H,3-4,10-16H2,1-2H3/p+3/t19-/m0/s1