(2S)-1-[bis(4-methoxyphenyl)methoxy]-3-(4-propylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[bis(4-methoxyphenyl)methoxy]-3-(4-propylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[bis(4-methoxyphenyl)methoxy]-3-(4-propylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[bis(4-methoxyphenyl)methoxy]-3-(4-propyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[bis(4-methoxyphenyl)methoxy]-3-(4-propylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[bis(4-methoxyphenyl)methoxy]-3-(4-propylpiperazin-4-ium-1-yl)propan-2-ol Formula: C25H37N2O4+ MolecularWeight: 429.57228

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CC(COC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CCC[NH+]1CCN(CC1)C[C@@H](COC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C25H36N2O4/c1-4-13-26-14-16-27(17-15-26)18-22(28)19-31-25(20-5-9-23(29-2)10-6-20)21-7-11-24(30-3)12-8-21/h5-12,22,25,28H,4,13-19H2,1-3H3/p+1/t22-/m0/s1