(2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-prop-2-ynoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-prop-2-ynoxy-propan-2-ol CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-prop-2-ynoxypropan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-propargyloxy-propan-2-ol Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CN1CC[NH+](CC1)CC2=CC=CC=C2)O

Isomeric SMILES

C#CCOC[C@H](CN1CC[NH+](CC1)CC2=CC=CC=C2)O

InChI

InChI=1S/C17H24N2O2/c1-2-12-21-15-17(20)14-19-10-8-18(9-11-19)13-16-6-4-3-5-7-16/h1,3-7,17,20H,8-15H2/p+1/t17-/m0/s1