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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(5-methoxy-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3O3S/c1-15-17-13-16(28-2)7-8-19(17)29-22(15)23(27)26-11-9-25(10-12-26)14-21-24-18-5-3-4-6-20(18)30-21/h3-8,13H,9-12,14H2,1-2H3/p+1