N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylpyridine-3-carboxamide

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylpyridine-3-carboxamide Openeye Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)pyridine-3-carboxamide CAS Name: N-[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)pyridine-3-carboxamide Traditional Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)nicotinamide Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c23-17(16-7-4-8-19-13-16)20-18(24)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,23,24)/p+1