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

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one Openeye Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one CAS Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1-pentanone IUPAC Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one Traditional Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N3O2S/c29-25(8-4-3-7-24-26-21-5-1-2-6-23(21)31-24)28-14-12-27(13-15-28)18-19-9-10-22-20(17-19)11-16-30-22/h1-2,5-6,9-10,17H,3-4,7-8,11-16,18H2/p+1