(2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-veratryloxy-propan-2-ol Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-26-21-9-8-18(14-22(21)27-2)16-28-17-20(25)15-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-9,14,20,25H,10-13,15-17H2,1-2H3/p+1/t20-/m0/s1