3-ethyl-4-[4-(phenylmethyl)piperazin-1-yl]-1-benzothiophene-2-carboxylate hydrochloride

Systemtic Name: 3-ethyl-4-[4-(phenylmethyl)piperazin-1-yl]-1-benzothiophene-2-carboxylate hydrochloride Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-ethyl-benzothiophene-2-carboxylate hydrochloride CAS Name: 3-ethyl-4-[4-(phenylmethyl)-1-piperazinyl]-1-benzothiophene-2-carboxylate hydrochloride IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-ethyl-1-benzothiophene-2-carboxylate hydrochloride Traditional Name: 4-(4-benzylpiperazino)-3-ethyl-benzothiophene-2-carboxylate hydrochloride Formula: C22H24ClN2O2S- MolecularWeight: 415.95616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC=CC(=C21)N3CCN(CC3)CC4=CC=CC=C4)C(=O)[O-].Cl

Isomeric SMILES

CCC1=C(SC2=CC=CC(=C21)N3CCN(CC3)CC4=CC=CC=C4)C(=O)[O-].Cl

InChI

InChI=1S/C22H24N2O2S.ClH/c1-2-17-20-18(9-6-10-19(20)27-21(17)22(25)26)24-13-11-23(12-14-24)15-16-7-4-3-5-8-16;/h3-10H,2,11-15H2,1H3,(H,25,26);1H/p-1