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

Systemtic Name: (5-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-3-methyl-benzofuran-2-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-3-methyl-2-benzofuranyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-3-methyl-benzofuran-2-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H20ClN2O2S+ MolecularWeight: 375.8923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C19H19ClN2O2S/c1-13-16-11-14(20)4-5-17(16)24-18(13)19(23)22-8-6-21(7-9-22)12-15-3-2-10-25-15/h2-5,10-11H,6-9,12H2,1H3/p+1