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

Systemtic Name: 1-(4-phenylpiperazin-1-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: 1-(2-allylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: 1-(4-phenyl-1-piperazin-1-iumyl)-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: 1-(4-phenylpiperazin-1-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(2-allylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

C=CCC1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H28N2O2/c1-2-8-19-9-6-7-12-22(19)26-18-21(25)17-23-13-15-24(16-14-23)20-10-4-3-5-11-20/h2-7,9-12,21,25H,1,8,13-18H2/p+1