(1S)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: (1S)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: (1S)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanol CAS Name: (1S)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: (1S)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: (1S)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanol Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(C3=CNC4=CC=CC=C43)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](C3=CNC4=CC=CC=C43)O

InChI

InChI=1S/C21H25N3O2/c1-26-17-8-6-16(7-9-17)24-12-10-23(11-13-24)15-21(25)19-14-22-20-5-3-2-4-18(19)20/h2-9,14,21-22,25H,10-13,15H2,1H3/p+1/t21-/m1/s1