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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N2O3S/c1-2-25-15-18-17-7-3-4-8-19(17)26-20(18)21(24)23-11-9-22(10-12-23)14-16-6-5-13-27-16/h3-8,13H,2,9-12,14-15H2,1H3/p+1