[4-(phenylmethyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone chloride

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone chloride Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-thienyl)methanone chloride CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-thiophen-2-ylmethanone chloride IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone chloride Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-thienyl)methanone chloride Formula: C16H19ClN2OS MolecularWeight: 322.85286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CS3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C16H18N2OS.ClH/c19-16(15-7-4-12-20-15)18-10-8-17(9-11-18)13-14-5-2-1-3-6-14;/h1-7,12H,8-11,13H2;1H