2-[(E)-2-ethoxybut-1-enyl]-1-methyl-benzo[e][1,3]benzothiazol-1-ium

Systemtic Name: 2-[(E)-2-ethoxybut-1-enyl]-1-methyl-benzo[e][1,3]benzothiazol-1-ium Openeye Name: 2-[(E)-2-ethoxybut-1-enyl]-1-methyl-benzo[e][1,3]benzothiazol-1-ium CAS Name: 2-[(E)-2-ethoxybut-1-enyl]-1-methylbenzo[e][1,3]benzothiazol-1-ium IUPAC Name: 2-[(E)-2-ethoxybut-1-enyl]-1-methylbenzo[e][1,3]benzothiazol-1-ium Traditional Name: 2-[(E)-2-ethoxybut-1-enyl]-1-methyl-benzo[e][1,3]benzothiazol-1-ium Formula: C18H20NOS+ MolecularWeight: 298.4225

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)OCC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)/OCC

InChI

InChI=1S/C18H20NOS/c1-4-14(20-5-2)12-17-19(3)18-15-9-7-6-8-13(15)10-11-16(18)21-17/h6-12H,4-5H2,1-3H3/q+1/b14-12+