(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Openeye Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(3-methoxyphenoxy)-2-propanol IUPAC Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Formula: C27H33N2O3+ MolecularWeight: 433.56252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@@H](CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H32N2O3/c1-31-25-13-8-14-26(19-25)32-21-24(30)20-28-15-17-29(18-16-28)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,24,27,30H,15-18,20-21H2,1H3/p+1/t24-/m1/s1