2-[3-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]indol-1-yl]ethanamide

Systemtic Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]indol-1-yl]ethanamide Openeye Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]indol-1-yl]acetamide CAS Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]methyl]-1-indolyl]acetamide IUPAC Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]methyl]indol-1-yl]acetamide Traditional Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]indol-1-yl]acetamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CN(C3=CC=CC=C32)CC(=O)N

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CN(C3=CC=CC=C32)CC(=O)N

InChI

InChI=1S/C20H30N4O2/c1-15(2)24-9-8-22(13-17(24)7-10-25)11-16-12-23(14-20(21)26)19-6-4-3-5-18(16)19/h3-6,12,15,17,25H,7-11,13-14H2,1-2H3,(H2,21,26)/p+1/t17-/m0/s1