N-(4-phenylazanylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-phenylazanylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C22H24N5S+ MolecularWeight: 390.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5S/c28-22(27-16-14-26(15-17-27)21-8-4-5-13-23-21)25-20-11-9-19(10-12-20)24-18-6-2-1-3-7-18/h1-13,24H,14-17H2,(H,25,28)/p+1