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

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-(4H-thieno[3,2-c][1]benzopyran-2-yl)methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(4H-thieno[3,2-c]chromen-2-yl)methanone Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

InChI

InChI=1S/C21H19N3O2S/c25-21(24-11-9-23(10-12-24)19-7-3-4-8-22-19)18-13-15-14-26-17-6-2-1-5-16(17)20(15)27-18/h1-8,13H,9-12,14H2/p+1