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

Systemtic Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone; iron(2+) Openeye Name: ferrous; cyclopentane; (3-cyclopentyl-6-methoxy-benzothiophen-2-yl)-[4-(1-piperidylmethyl)phenyl]methanone CAS Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(1-piperidinylmethyl)phenyl]methanone; iron(2+) IUPAC Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone; iron(2+) Traditional Name: ferrous; cyclopentane; (3-cyclopentyl-6-methoxy-benzothiophen-2-yl)-[4-(piperidinomethyl)phenyl]methanone Formula: C32H31FeNO2S+2 MolecularWeight: 549.50404

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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)CN4CCCCC4)[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)CN4CCCCC4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C27H26NO2S.C5H5.Fe/c1-30-22-13-14-23-24(17-22)31-27(25(23)20-7-3-4-8-20)26(29)21-11-9-19(10-12-21)18-28-15-5-2-6-16-28;1-2-4-5-3-1;/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3;1-5H;/q;;+2