3-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N3O2S/c27-23(8-7-22-24-19-3-1-2-4-21(19)29-22)26-12-10-25(11-13-26)16-17-5-6-20-18(15-17)9-14-28-20/h1-6,15H,7-14,16H2/p+1