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

Systemtic Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-methoxy-3-methyl-2-benzofuranyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-14-17-12-15(24-2)5-6-18(17)25-19(14)20(23)22-9-7-21(8-10-22)13-16-4-3-11-26-16/h3-6,11-12H,7-10,13H2,1-2H3/p+1