1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(3,5-dimethylbenzothiophen-2-yl)propan-1-one dihydrochloride CAS Name: 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-benzothiophen-2-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(3,5-dimethylbenzothiophen-2-yl)propan-1-one dihydrochloride Formula: C24H30Cl2N2OS MolecularWeight: 465.4788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2C)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2C)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H28N2OS.2ClH/c1-18-8-9-23-21(16-18)19(2)24(28-23)22(27)10-11-25-12-14-26(15-13-25)17-20-6-4-3-5-7-20;;/h3-9,16H,10-15,17H2,1-2H3;2*1H