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

Systemtic Name: (2R)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-3-(4-methoxyphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Formula: C23H29N2O3S+ MolecularWeight: 413.55296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)CC3=CSC4=CC=CC=C43)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)CC3=CSC4=CC=CC=C43)O

InChI

InChI=1S/C23H28N2O3S/c1-27-20-6-8-21(9-7-20)28-16-19(26)15-25-12-10-24(11-13-25)14-18-17-29-23-5-3-2-4-22(18)23/h2-9,17,19,26H,10-16H2,1H3/p+1/t19-/m1/s1