2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enenitrile hydrochloride

Systemtic Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enenitrile hydrochloride Openeye Name: 2-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]prop-2-enenitrile hydrochloride CAS Name: 2-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]-2-propenenitrile hydrochloride IUPAC Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enenitrile hydrochloride Traditional Name: 2-[4-(4-phenethylpiperazino)benzothiophen-2-yl]acrylonitrile hydrochloride Formula: C23H24ClN3S MolecularWeight: 409.97476

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#N)C1=CC2=C(C=CC=C2S1)N3CCN(CC3)CCC4=CC=CC=C4.Cl

Isomeric SMILES

C=C(C#N)C1=CC2=C(C=CC=C2S1)N3CCN(CC3)CCC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H23N3S.ClH/c1-18(17-24)23-16-20-21(8-5-9-22(20)27-23)26-14-12-25(13-15-26)11-10-19-6-3-2-4-7-19;/h2-9,16H,1,10-15H2;1H