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

Systemtic Name: 2-[4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-yl-methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridyl)methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridyl)methyl]piperazin-4-ium-1-yl]ethanol Formula: C21H27N4O+ MolecularWeight: 351.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)[NH+]4CCN(CC4)CCO

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C3=CC=CC=N3)[NH+]4CCN(CC4)CCO

InChI

InChI=1S/C21H26N4O/c1-16-20(17-6-2-3-7-18(17)23-16)21(19-8-4-5-9-22-19)25-12-10-24(11-13-25)14-15-26/h2-9,21,23,26H,10-15H2,1H3/p+1/t21-/m1/s1