5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole hydrochloride

Systemtic Name: 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole hydrochloride Openeye Name: 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-(2-thienyl)isoxazole hydrochloride CAS Name: 5-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3-thiophen-2-ylisoxazole hydrochloride IUPAC Name: 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole hydrochloride Traditional Name: 5-[4-[4-(2-methoxyphenyl)piperazino]butyl]-3-(2-thienyl)isoxazole hydrochloride Formula: C22H28ClN3O2S MolecularWeight: 433.99462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC(=NO3)C4=CC=CS4.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC(=NO3)C4=CC=CS4.Cl

InChI

InChI=1S/C22H27N3O2S.ClH/c1-26-21-9-3-2-8-20(21)25-14-12-24(13-15-25)11-5-4-7-18-17-19(23-27-18)22-10-6-16-28-22;/h2-3,6,8-10,16-17H,4-5,7,11-15H2,1H3;1H