(5-chloranyl-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chlorobenzofuran-2-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chlorobenzofuran-2-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H18ClN2O2S+ MolecularWeight: 361.86572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C18H17ClN2O2S/c19-15-1-2-16-14(9-15)10-17(23-16)18(22)21-6-4-20(5-7-21)11-13-3-8-24-12-13/h1-3,8-10,12H,4-7,11H2/p+1