N-(phenylmethyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4S/c23-18(20-14-16-4-2-1-3-5-16)22-12-10-21(11-13-22)15-17-6-8-19-9-7-17/h1-9H,10-15H2,(H,20,23)/p+1