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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

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