1-[3-[[3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[3-(2-hydroxyethyl)-4-(3-thienylmethyl)piperazin-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[3-(2-hydroxyethyl)-4-(3-thiophenylmethyl)-1-piperazinyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[3-(2-hydroxyethyl)-4-(3-thenyl)piperazino]methyl]phenyl]ethanone Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CN2CCN(C(C2)CCO)CC3=CSC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CN2CCN(C(C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C20H26N2O2S/c1-16(24)19-4-2-3-17(11-19)12-21-7-8-22(20(14-21)5-9-23)13-18-6-10-25-15-18/h2-4,6,10-11,15,20,23H,5,7-9,12-14H2,1H3