(2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O3/c1-3-7-19-10-11-22(23(16-19)27-2)28-18-21(26)17-24-12-14-25(15-13-24)20-8-5-4-6-9-20/h3-6,8-11,16,21,26H,1,7,12-15,17-18H2,2H3/p+1/t21-/m0/s1