2-[4-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(3R)-chroman-3-yl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[(3R)-chroman-3-yl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)C4CC5=CC=CC=C5OC4

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)[C@@H]4CC5=CC=CC=C5OC4

InChI

InChI=1S/C21H23N3OS/c1-3-8-19-16(6-1)14-17(15-25-19)23-10-5-11-24(13-12-23)21-22-18-7-2-4-9-20(18)26-21/h1-4,6-9,17H,5,10-15H2/p+1/t17-/m1/s1