cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanone; iron(2+)

Systemtic Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanone; iron(2+) Openeye Name: ferrous; cyclopentane; (3-cyclopentyl-6-methoxy-benzothiophen-2-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanone CAS Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(1-piperazinylmethyl)phenyl]methanone; iron(2+) IUPAC Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanone; iron(2+) Traditional Name: ferrous; cyclopentane; (3-cyclopentyl-6-methoxy-benzothiophen-2-yl)-[4-(piperazinomethyl)phenyl]methanone Formula: C31H30FeN2O2S+2 MolecularWeight: 550.4921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)C3=CC=C(C=C3)CN4CCNCC4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)C3=CC=C(C=C3)CN4CCNCC4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C26H25N2O2S.C5H5.Fe/c1-30-21-10-11-22-23(16-21)31-26(24(22)19-4-2-3-5-19)25(29)20-8-6-18(7-9-20)17-28-14-12-27-13-15-28;1-2-4-5-3-1;/h2-11,16,27H,12-15,17H2,1H3;1-5H;/q;;+2