4-pyridin-1-ium-2-yl-N-quinoxalin-6-yl-piperazine-1-carbothioamide

Systemtic Name: 4-pyridin-1-ium-2-yl-N-quinoxalin-6-yl-piperazine-1-carbothioamide Openeye Name: 4-pyridin-1-ium-2-yl-N-quinoxalin-6-yl-piperazine-1-carbothioamide CAS Name: 4-(2-pyridin-1-iumyl)-N-(6-quinoxalinyl)-1-piperazinecarbothioamide IUPAC Name: 4-pyridin-1-ium-2-yl-N-quinoxalin-6-ylpiperazine-1-carbothioamide Traditional Name: 4-pyridin-1-ium-2-yl-N-quinoxalin-6-yl-piperazine-1-carbothioamide Formula: C18H19N6S+ MolecularWeight: 351.44866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C18H18N6S/c25-18(22-14-4-5-15-16(13-14)20-8-7-19-15)24-11-9-23(10-12-24)17-3-1-2-6-21-17/h1-8,13H,9-12H2,(H,22,25)/p+1