1-(4-methylphenoxy)-3-[1-[3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: 1-(4-methylphenoxy)-3-[1-[3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-ium-1-yl]propan-2-ol Openeye Name: 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol CAS Name: 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]-1-piperazin-1-iumyl]-3-(4-methylphenoxy)-2-propanol IUPAC Name: 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol Traditional Name: 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol Formula: C24H35N2O4+ MolecularWeight: 415.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[N+]2(CCNCC2)CC(COC3=CC=C(C=C3)C)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(C[N+]2(CCNCC2)CC(COC3=CC=C(C=C3)C)O)O

InChI

InChI=1S/C24H35N2O4/c1-19-3-7-23(8-4-19)29-17-21(27)15-26(13-11-25-12-14-26)16-22(28)18-30-24-9-5-20(2)6-10-24/h3-10,21-22,25,27-28H,11-18H2,1-2H3/q+1