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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H22N2O3S/c1-24-13-17-16-4-2-3-5-18(16)25-19(17)20(23)22-9-7-21(8-10-22)12-15-6-11-26-14-15/h2-6,11,14H,7-10,12-13H2,1H3/p+1