[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-2,3-dihydrobenzofuran-2-yl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[(2S)-2,3-dihydrobenzofuran-2-yl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(2S)-coumaran-2-yl]methanone Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)[C@@H]4CC5=CC=CC=C5O4

InChI

InChI=1S/C21H21N3O2S/c25-21(18-13-15-5-1-3-7-17(15)26-18)24-11-9-23(10-12-24)14-20-22-16-6-2-4-8-19(16)27-20/h1-8,18H,9-14H2/p+1/t18-/m0/s1