2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3-indolyl)methyl]-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C22H36N3O+ MolecularWeight: 358.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CN3CC[NH+](C(C3)CCO)CCC(C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN3CC[NH+]([C@H](C3)CCO)CCC(C)C

InChI

InChI=1S/C22H35N3O/c1-4-24-16-19(21-7-5-6-8-22(21)24)15-23-12-13-25(11-9-18(2)3)20(17-23)10-14-26/h5-8,16,18,20,26H,4,9-15,17H2,1-3H3/p+1/t20-/m0/s1