(2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-prop-2-ynoxy-propan-2-ol

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-prop-2-ynoxy-propan-2-ol Openeye Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-prop-2-ynoxy-propan-2-ol CAS Name: (2S)-1-(4-phenyl-1-piperazin-1-iumyl)-3-prop-2-ynoxy-2-propanol IUPAC Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-prop-2-ynoxypropan-2-ol Traditional Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-propargyloxy-propan-2-ol Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2/c1-2-12-20-14-16(19)13-17-8-10-18(11-9-17)15-6-4-3-5-7-15/h1,3-7,16,19H,8-14H2/p+1/t16-/m0/s1