3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-benzothiazol-3-ium Openeye Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-benzothiazol-3-ium CAS Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-benzothiazol-3-ium Traditional Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-benzothiazol-3-ium Formula: C34H58NO3S+ MolecularWeight: 560.89422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC3=CC=CC=C32

InChI

InChI=1S/C34H58NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-34-37-29-31(38-34)28-36-27-22-17-16-21-26-35-30-39-33-24-20-19-23-32(33)35/h19-20,23-24,30-31,34H,2-18,21-22,25-29H2,1H3/q+1