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

Systemtic Name: 2-[3-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]indol-1-yl]ethanamide Openeye Name: 2-[3-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]indol-1-yl]acetamide CAS Name: 2-[3-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-1-indolyl]acetamide IUPAC Name: 2-[3-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]indol-1-yl]acetamide Traditional Name: 2-[3-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]indol-1-yl]acetamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CN(C4=CC=CC=C43)CC(=O)N

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CN(C4=CC=CC=C43)CC(=O)N

InChI

InChI=1S/C22H32N4O2/c23-22(28)16-25-14-17(20-7-3-4-8-21(20)25)13-24-10-11-26(18-5-1-2-6-18)19(15-24)9-12-27/h3-4,7-8,14,18-19,27H,1-2,5-6,9-13,15-16H2,(H2,23,28)/p+1/t19-/m0/s1