N,N-diethyl-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboximidamide

Systemtic Name: N,N-diethyl-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboximidamide Openeye Name: N,N-diethyl-9-[8-(2-thienylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboxamidine CAS Name: N,N-diethyl-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboximidamide IUPAC Name: N,N-diethyl-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboximidamide Traditional Name: N,N-diethyl-9-[8-(2-thenyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboxamidine Formula: C30H35N3OS MolecularWeight: 485.6834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=N)C1=CC2=C(C=C1)C(C3=CC=CC=C3O2)C4CC5CCC(C4)N5CC6=CC=CS6

Isomeric SMILES

CCN(CC)C(=N)C1=CC2=C(C=C1)C(C3=CC=CC=C3O2)C4CC5CCC(C4)N5CC6=CC=CS6

InChI

InChI=1S/C30H35N3OS/c1-3-32(4-2)30(31)20-11-14-26-28(18-20)34-27-10-6-5-9-25(27)29(26)21-16-22-12-13-23(17-21)33(22)19-24-8-7-15-35-24/h5-11,14-15,18,21-23,29,31H,3-4,12-13,16-17,19H2,1-2H3