2-(3-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3-thiazole; ethanedioic acid

Systemtic Name: 2-(3-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3-thiazole; ethanedioic acid Openeye Name: 2-(3-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)thiazole; oxalic acid CAS Name: 2-(3-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)thiazole; oxalic acid IUPAC Name: 2-(3-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3-thiazole; oxalic acid Traditional Name: 2-(3-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)thiazole; oxalic acid Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C3=CN=C(S3)C4=CC(=CC=C4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN2CCC1N(CC2)C3=CN=C(S3)C4=CC(=CC=C4)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18BrN3S.C2H2O4/c17-13-3-1-2-12(10-13)16-18-11-15(21-16)20-9-8-19-6-4-14(20)5-7-19;3-1(4)2(5)6/h1-3,10-11,14H,4-9H2;(H,3,4)(H,5,6)