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

Systemtic Name: N-(phenylmethyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-benzyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4S/c22-17(19-14-15-6-2-1-3-7-15)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h1-9H,10-14H2,(H,19,22)/p+1