1-(1-benzothiophen-4-yl)-4-phenethyl-piperazine; 2-methylbenzamide; hydrochloride

Systemtic Name: 1-(1-benzothiophen-4-yl)-4-phenethyl-piperazine; 2-methylbenzamide; hydrochloride Openeye Name: 1-(benzothiophen-4-yl)-4-phenethyl-piperazine; 2-methylbenzamide; hydrochloride CAS Name: 1-(1-benzothiophen-4-yl)-4-phenethylpiperazine; 2-methylbenzamide; hydrochloride IUPAC Name: 1-(1-benzothiophen-4-yl)-4-phenethylpiperazine; 2-methylbenzamide; hydrochloride Traditional Name: 1-(benzothiophen-4-yl)-4-phenethyl-piperazine; 2-methylbenzamide; hydrochloride Formula: C28H32ClN3OS MolecularWeight: 494.09118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N.C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=CSC4=CC=C3.Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N.C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=CSC4=CC=C3.Cl

InChI

InChI=1S/C20H22N2S.C8H9NO.ClH/c1-2-5-17(6-3-1)9-11-21-12-14-22(15-13-21)19-7-4-8-20-18(19)10-16-23-20;1-6-4-2-3-5-7(6)8(9)10;/h1-8,10,16H,9,11-15H2;2-5H,1H3,(H2,9,10);1H