(E)-3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enenitrile hydrochloride

Systemtic Name: (E)-3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enenitrile hydrochloride Openeye Name: (E)-3-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]prop-2-enenitrile hydrochloride CAS Name: (E)-3-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]-2-propenenitrile hydrochloride IUPAC Name: (E)-3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enenitrile hydrochloride Traditional Name: (E)-3-[4-(4-phenethylpiperazino)benzothiophen-2-yl]acrylonitrile hydrochloride Formula: C23H24ClN3S MolecularWeight: 409.97476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)C=CC#N.Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)/C=C/C#N.Cl

InChI

InChI=1S/C23H23N3S.ClH/c24-12-5-8-20-18-21-22(9-4-10-23(21)27-20)26-16-14-25(15-17-26)13-11-19-6-2-1-3-7-19;/h1-10,18H,11,13-17H2;1H/b8-5+;