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

Systemtic Name: 1-[3-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[3-(2-hydroxyethyl)-4-(2-thienylmethyl)piperazin-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[3-(2-hydroxyethyl)-4-(2-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=CC=CS3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CN2CCN(C(C2)CCO)CC3=CC=CS3

InChI

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