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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

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