[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone

Systemtic Name: [4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone Openeye Name: [4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone CAS Name: [4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-(4H-thieno[3,2-c][1]benzopyran-2-yl)methanone IUPAC Name: [4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone Traditional Name: [4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

InChI

InChI=1S/C22H21N3O2S/c26-22(25-11-9-24(10-12-25)14-17-5-3-4-8-23-17)20-13-16-15-27-19-7-2-1-6-18(19)21(16)28-20/h1-8,13H,9-12,14-15H2/p+1