2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C15H20NOS+ MolecularWeight: 262.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=CC=CC=C2S1)CC)OCC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=CC=CC=C2S1)CC)/OCC

InChI

InChI=1S/C15H20NOS/c1-4-12(17-6-3)11-15-16(5-2)13-9-7-8-10-14(13)18-15/h7-11H,4-6H2,1-3H3/q+1/b12-11+