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

Systemtic Name: (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-ethoxy-3-methyl-benzofuran-2-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-ethoxy-3-methyl-2-benzofuranyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-ethoxy-3-methyl-benzofuran-2-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C21H25N2O3S+ MolecularWeight: 385.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N2O3S/c1-3-25-16-6-7-19-18(13-16)15(2)20(26-19)21(24)23-10-8-22(9-11-23)14-17-5-4-12-27-17/h4-7,12-13H,3,8-11,14H2,1-2H3/p+1