[(E)-4-[4-(6-bromanyl-1,2-benzothiazol-3-yl)phenoxy]but-2-enyl]-methyl-prop-2-enyl-azanium

Systemtic Name: [(E)-4-[4-(6-bromanyl-1,2-benzothiazol-3-yl)phenoxy]but-2-enyl]-methyl-prop-2-enyl-azanium Openeye Name: allyl-[(E)-4-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]but-2-enyl]-methyl-ammonium CAS Name: [(E)-4-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]but-2-enyl]-methyl-prop-2-enylammonium IUPAC Name: [(E)-4-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]but-2-enyl]-methyl-prop-2-enylazanium Traditional Name: allyl-[(E)-4-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]but-2-enyl]-methyl-ammonium Formula: C21H22BrN2OS+ MolecularWeight: 430.38118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC=C)CC=CCOC1=CC=C(C=C1)C2=NSC3=C2C=CC(=C3)Br

Isomeric SMILES

C[NH+](CC=C)C/C=C/COC1=CC=C(C=C1)C2=NSC3=C2C=CC(=C3)Br

InChI

InChI=1S/C21H21BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-9-6-16(7-10-18)21-19-11-8-17(22)15-20(19)26-23-21/h3-11,15H,1,12-14H2,2H3/p+1/b5-4+